C30H28N2O7 6H-Furo[2′,3′:4,5]oksazolo[3,2-a]pyrimidina-6-iray, 2-[[bis(4-methoxy phenyl)phenylmethoxy]methyl]-2,3,3a ,9a-tetrahydro-3-hydroxy-, (2R,3R,3aS,9aR)- (9CI, ACI)

vokatra

C30H28N2O7 6H-Furo[2′,3′:4,5]oksazolo[3,2-a]pyrimidina-6-iray, 2-[[bis(4-methoxy phenyl)phenylmethoxy]methyl]-2,3,3a ,9a-tetrahydro-3-hydroxy-, (2R,3R,3aS,9aR)- (9CI, ACI)

Fampahafantarana fototra:


Product Detail

Tags vokatra

Toetra ara-batana

Toetra ara-batana fototra sarobidy toe-javatra
Lanja molekiola 528.55 -
Teboka fandrehitra (andrana) 129.5-130 °C -
Teboka mangotraka (voavinavina) 688.2±65.0 °C Press: 760 Torr
Density (voavinavina) 1,35±0,1 g/cm3 Mafana: 20 °C;Press: 760 Torr
pKa (voavinavina) 12.51±0.40 Mafana asidra indrindra: 25 °C

Anarana sy famantarana hafa

SMILES Canonical O=C1N=C2OC3C(O)C(OC3N2C=C1)COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6
SMILES Isomerik C(OC[C@H]1O[C@@]2([C@]([C@@H]1O)(OC=3N2C=CC(=O)N3)[H])[H] )(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C6
InChI
InChI=1S/C30H28N2O7/c1-35-22-12-8-20(9-13-22)30(19-6-4-3-5-7-19,21-10-14-23(36- 2)15-11-21)37-18-24-26(34)27-28(38-24)32-17- 16-25(33)31-29(32)39-27/h3-17, 24,26-28,34H,18H2,1-2H3/t24-,26-,27+,28-/m1/s1
InChI Key
OEIRLWHCGAICDW-AOGFTHLWSA-N
2 Anarana hafa ho an'ity akora ity
(2R,3R,3aS,9aR)-2-[[Bis(4-methoxyphenyl)phenylmethoxy]methyl]-2,3,3a,9a-tetrahydro-3-hydroxy-6H-furo[2′,3′:4 ,5] oxazolo [3,2-a] pyrimidine-6-one (ACI);6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidina-6-iray, 2-[[bis(4-methoxyphenyl)phenylmethoxy]methyl]-2,3,3a,9a -

tetrahydro-3-hydroxy-, [2R-(2α,3β,3aβ,9aβ)]- (ZCI)

Properties andrana

Properties misy
mafana

mafana

NY FANANANA sarobidy toe-javatra Source
Teboka mitsonika 129.5-130 °C (1) CAS

(1) Szlenkier, Maurycy;Nucleosides, Nucleotides & Acids Nucleic, (2016), 35(8), 410-425, CAplus

Spectra andrana

Spectra misy
1H NMR
13C NMR
IR
-bahoaka

Properties vinavinaina

Properties misy
niteraka
simika
hakitroky
Lipinski
Structure Related
mafana

niteraka

NY FANANANA sarobidy toe-javatra Source
Bioconcentration Factor 1360 pH 1;Mafana: 25 °C (1) ACD
Bioconcentration Factor 1360 pH 2;Mafana: 25 °C (1) ACD
Bioconcentration Factor 1360 pH 3;Mafana: 25 °C (1) ACD
Bioconcentration Factor 1360 pH 4;Mafana: 25 °C (1) ACD
Bioconcentration Factor 1360 pH 5;Mafana: 25 °C (1) ACD
Bioconcentration Factor 1360 pH 6;Mafana: 25 °C (1) ACD
Bioconcentration Factor 1360 pH 7;Mafana: 25 °C (1) ACD

 

NY FANANANA sarobidy toe-javatra Source
Bioconcentration Factor 1360 pH 8;Mafana: 25 °C (1) ACD
Bioconcentration Factor 1360 pH 9;Mafana: 25 °C (1) ACD
Bioconcentration Factor 1350 pH 10;Mafana: 25 °C (1) ACD

 (1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

simika

NY FANANANA sarobidy toe-javatra Source
Koc 6080 pH 1;Mafana: 25 °C (1) ACD
Koc 6080 pH 2;Mafana: 25 °C (1) ACD
Koc 6080 pH 3;Mafana: 25 °C (1) ACD
Koc 6080 pH 4;Mafana: 25 °C (1) ACD
Koc 6080 pH 5;Mafana: 25 °C (1) ACD
Koc 6080 pH 6;Mafana: 25 °C (1) ACD
Koc 6080 pH 7;Mafana: 25 °C (1) ACD
Koc 6080 pH 8;Mafana: 25 °C (1) ACD
Koc 6070 pH 9;Mafana: 25 °C (1) ACD
Koc 6060 pH 10;Mafana: 25 °C (1) ACD
logD 4.42 pH 1;Mafana: 25 °C (1) ACD
logD 4.42 pH 2;Mafana: 25 °C (1) ACD
logD 4.42 pH 3;Mafana: 25 °C (1) ACD
logD 4.42 pH 4;Mafana: 25 °C (1) ACD
logD 4.42 pH 5;Mafana: 25 °C (1) ACD
logD 4.42 pH 6;Mafana: 25 °C (1) ACD
logD 4.42 pH 7;Mafana: 25 °C (1) ACD
logD 4.42 pH 8;Mafana: 25 °C (1) ACD
logD 4.42 pH 9;Mafana: 25 °C (1) ACD
logD 4.42 pH 10;Mafana: 25 °C (1) ACD
logP 4.424±0.618 Mafana: 25 °C (1) ACD
Faobe Intrinsic Solubility 5,8 x 10-4 g/L Mafana: 25 °C (1) ACD
Mass Solubility 5,8 x 10-4 g/L pH 1;Mafana: 25 °C (1) ACD
Mass Solubility 5,8 x 10-4 g/L pH 2;Mafana: 25 °C (1) ACD
Mass Solubility 5,8 x 10-4 g/L pH 3;Mafana: 25 °C (1) ACD
Mass Solubility 5,8 x 10-4 g/L pH 4;Mafana: 25 °C (1) ACD
Mass Solubility 5,8 x 10-4 g/L pH 5;Mafana: 25 °C (1) ACD

 

NY FANANANA sarobidy toe-javatra Source
Mass Solubility 5,8 x 10-4 g/L pH 6;Mafana: 25 °C (1) ACD
Mass Solubility 5,8 x 10-4 g/L pH 7;Mafana: 25 °C (1) ACD
Mass Solubility 5,8 x 10-4 g/L pH 8;Mafana: 25 °C (1) ACD
Mass Solubility 5,8 x 10-4 g/L pH 9;Mafana: 25 °C (1) ACD
Mass Solubility 5,8 x 10-4 g/L pH 10;Mafana: 25 °C (1) ACD
Mass Solubility 5,8 x 10-4 g/L Rano tsy voaaro pH 7.00;Mafana: 25 °C (1) ACD
Molar intrinsic solubility 1,1 x 10-6 mol/L Mafana: 25 °C (1) ACD
Molar Solubility 1,1 x 10-6 mol/L pH 1;Mafana: 25 °C (1) ACD
Molar Solubility 1,1 x 10-6 mol/L pH 2;Mafana: 25 °C (1) ACD
Molar Solubility 1,1 x 10-6 mol/L pH 3;Mafana: 25 °C (1) ACD
Molar Solubility 1,1 x 10-6 mol/L pH 4;Mafana: 25 °C (1) ACD
Molar Solubility 1,1 x 10-6 mol/L pH 5;Mafana: 25 °C (1) ACD
Molar Solubility 1,1 x 10-6 mol/L pH 6;Mafana: 25 °C (1) ACD
Molar Solubility 1,1 x 10-6 mol/L pH 7;Mafana: 25 °C (1) ACD
Molar Solubility 1,1 x 10-6 mol/L pH 8;Mafana: 25 °C (1) ACD
Molar Solubility 1,1 x 10-6 mol/L pH 9;Mafana: 25 °C (1) ACD
Molar Solubility 1,1 x 10-6 mol/L pH 10;Mafana: 25 °C (1) ACD
Molar Solubility 1,1 x 10-6 mol/L Rano tsy voaaro pH 7.00;Mafana: 25 °C (1) ACD
Lanja molekiola 528.55
pKa 12.51±0.40 Mafana asidra indrindra: 25 °C (1) ACD
pKa -4.70±0.60 Ny mari-pana fototra indrindra: 25 °C (1) ACD
Fanerena ny etona 6.91 x 10-20 Torr Mafana: 25 °C (1) ACD

 (1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

hakitroky

NY FANANANA sarobidy toe-javatra Source
hakitroky 1,35±0,1 g/cm3 Mafana: 20 °C;Press: 760 Torr (1) ACD
Boky molar 389.8±7.0 cm3/mol Mafana: 20 °C;Press: 760 Torr (1) ACD

(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Lipinski

NY FANANANA sarobidy toe-javatra Source
Fatorana azo ahodina malalaka 9 (1) ACD

 

NY FANANANA sarobidy toe-javatra Source
H Acceptors 9 (1) ACD
H Mpanome 1 (1) ACD
H Donor/Acceptor Sum 10 (1) ACD
logP 4.424±0.618 Mafana: 25 °C (1) ACD
Lanja molekiola 528.55

 (1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Structure Related

NY FANANANA sarobidy

toe-javatra

Source
Faritra ambonin'ny polar 99.1 A2 (1) ACD

(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

mafana

NY FANANANA sarobidy toe-javatra Source
Teboka mangotraka 688.2±65.0 °C Press: 760 Torr (1) ACD
Enthalpy de evaporation 105,96±3,0 kJ/mol Press: 760 Torr (1) ACD
Flash point 370.0±34.3 °C (1) ACD

(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Spectra vinavina

Spectra misy
1H NMR
13C NMR


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