(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(2,2-diphenylethoxymethyl)-4-methoxyoxolan-3-ol

C25H27N5O4 — CID 18642999

IUPAC(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(2,2-diphenylethoxymethyl)-4-methoxyoxolan-3-ol
SMILESCO[C@@H]1[C@H](O)[C@@H](COCC(c2ccccc2)c2ccccc2)O[C@H]1n1cnc2c(N)ncnc21
InChIInChI=1S/C25H27N5O4/c1-32-22-21(31)19(34-25(22)30-15-29-20-23(26)27-14-28-24(20)30)13-33-12-18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,14-15,18-19,21-22,25,31H,12-13H2,1H3,(H2,26,27,28)/t19-,21-,22-,25-/m1/s1
InChIKeyPQQQOMHXWHRDAE-PTGPVQHPSA-N
MW461.52 g/mol
LogP2.53
Rot. Bonds8

About (2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(2,2-diphenylethoxymethyl)-4-methoxyoxolan-3-ol

(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(2,2-diphenylethoxymethyl)-4-methoxyoxolan-3-ol (PubChem CID 18642999) has the molecular formula C25H27N5O4 and a molecular weight of 461.52 g/mol. Its IUPAC name is (2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(2,2-diphenylethoxymethyl)-4-methoxyoxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(2,2-diphenylethoxymethyl)-4-methoxyoxolan-3-ol
PubChem CID18642999
Molecular FormulaC25H27N5O4
Molecular Weight461.52 g/mol
Exact Mass461.21
IUPAC Name(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(2,2-diphenylethoxymethyl)-4-methoxyoxolan-3-ol
SMILESCO[C@@H]1[C@H](O)[C@@H](COCC(c2ccccc2)c2ccccc2)O[C@H]1n1cnc2c(N)ncnc21
InChIInChI=1S/C25H27N5O4/c1-32-22-21(31)19(34-25(22)30-15-29-20-23(26)27-14-28-24(20)30)13-33-12-18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,14-15,18-19,21-22,25,31H,12-13H2,1H3,(H2,26,27,28)/t19-,21-,22-,25-/m1/s1
InChIKeyPQQQOMHXWHRDAE-PTGPVQHPSA-N
XLogP2.53
TPSA117.54 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(2,2-diphenylethoxymethyl)-4-methoxyoxolan-3-ol with MolForge

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Related Compounds

(2R,3S,4R,5R)-2-[(2-amino-2-phenylethoxy)methyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol
CID 25173333
5-(6-aminopurin-9-yl)-4-methoxy-2-(methoxymethyl)oxolan-3-ol
CID 19076332
(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxyoxolan-3-ol
CID 11069295
[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methyl dihydrogen phosphate
CID 172638487
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[2-(3,5-dimethoxyphenyl)-2-(2-methylphenyl)ethoxy]methyl]oxolane-3,4-diol
CID 18661195
(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-[methyl(diphenyl)silyl]oxy-2-[[methyl(diphenyl)silyl]oxymethyl]oxolan-3-ol
CID 24866592
(2R,3S,4S,5R,6R,7R)-7-(6-aminopurin-9-yl)-2-(hydroxymethyl)-6-methoxyoxepane-3,4,5-triol
CID 58940512
(2R,3S,5R)-2-(6-aminopurin-9-yl)-4-methoxy-5-(methoxymethyl)oxolan-3-ol
CID 58319615
(3R,4S)-2-(6-aminopurin-9-yl)-5-(sulfanylmethoxymethyl)oxolane-3,4-diol
CID 145155590
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[(1-phenylcyclopropyl)methoxymethyl]oxolane-3,4-diol
CID 22838695
[(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dimethoxyoxolan-2-yl]methanol
CID 6481828
9-[(2R,3R,4R,5R)-3,4-dimethoxy-5-(methoxymethyl)oxolan-2-yl]purin-6-amine
CID 56634843

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(2,2-diphenylethoxymethyl)-4-methoxyoxolan-3-ol?
The IUPAC name of (2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(2,2-diphenylethoxymethyl)-4-methoxyoxolan-3-ol (CID 18642999) is (2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(2,2-diphenylethoxymethyl)-4-methoxyoxolan-3-ol.
What is the SMILES notation for (2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(2,2-diphenylethoxymethyl)-4-methoxyoxolan-3-ol?
The canonical SMILES for (2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(2,2-diphenylethoxymethyl)-4-methoxyoxolan-3-ol is CO[C@@H]1[C@H](O)[C@@H](COCC(c2ccccc2)c2ccccc2)O[C@H]1n1cnc2c(N)ncnc21.
What is the InChIKey of (2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(2,2-diphenylethoxymethyl)-4-methoxyoxolan-3-ol?
The InChIKey is PQQQOMHXWHRDAE-PTGPVQHPSA-N. The full InChI is InChI=1S/C25H27N5O4/c1-32-22-21(31)19(34-25(22)30-15-29-20-23(26)27-14-28-24(20)30)13-33-12-18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,14-15,18-19,21-22,25,31H,12-13H2,1H3,(H2,26,27,28)/t19-,21-,22-,25-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(2,2-diphenylethoxymethyl)-4-methoxyoxolan-3-ol?
(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(2,2-diphenylethoxymethyl)-4-methoxyoxolan-3-ol has a molecular weight of 461.52 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(2,2-diphenylethoxymethyl)-4-methoxyoxolan-3-ol is sourced from PubChem (CID 18642999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).