(1S,2S,3S,5S)-5-(6-aminopurin-9-yl)-3-phenylmethoxy-2-(phenylmethoxymethyl)cyclopentan-1-ol

C25H27N5O3 — CID 10837060

IUPAC(1S,2S,3S,5S)-5-(6-aminopurin-9-yl)-3-phenylmethoxy-2-(phenylmethoxymethyl)cyclopentan-1-ol
SMILESNc1ncnc2c1ncn2[C@H]1C[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)[C@@H]1O
InChIInChI=1S/C25H27N5O3/c26-24-22-25(28-15-27-24)30(16-29-22)20-11-21(33-13-18-9-5-2-6-10-18)19(23(20)31)14-32-12-17-7-3-1-4-8-17/h1-10,15-16,19-21,23,31H,11-14H2,(H2,26,27,28)/t19-,20+,21+,23+/m1/s1
InChIKeyCNAHDMQJIGIOQT-FBPBVXOASA-N
MW445.52 g/mol
LogP3.13
Rot. Bonds8

About (1S,2S,3S,5S)-5-(6-aminopurin-9-yl)-3-phenylmethoxy-2-(phenylmethoxymethyl)cyclopentan-1-ol

(1S,2S,3S,5S)-5-(6-aminopurin-9-yl)-3-phenylmethoxy-2-(phenylmethoxymethyl)cyclopentan-1-ol (PubChem CID 10837060) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is (1S,2S,3S,5S)-5-(6-aminopurin-9-yl)-3-phenylmethoxy-2-(phenylmethoxymethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name(1S,2S,3S,5S)-5-(6-aminopurin-9-yl)-3-phenylmethoxy-2-(phenylmethoxymethyl)cyclopentan-1-ol
PubChem CID10837060
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC Name(1S,2S,3S,5S)-5-(6-aminopurin-9-yl)-3-phenylmethoxy-2-(phenylmethoxymethyl)cyclopentan-1-ol
SMILESNc1ncnc2c1ncn2[C@H]1C[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)[C@@H]1O
InChIInChI=1S/C25H27N5O3/c26-24-22-25(28-15-27-24)30(16-29-22)20-11-21(33-13-18-9-5-2-6-10-18)19(23(20)31)14-32-12-17-7-3-1-4-8-17/h1-10,15-16,19-21,23,31H,11-14H2,(H2,26,27,28)/t19-,20+,21+,23+/m1/s1
InChIKeyCNAHDMQJIGIOQT-FBPBVXOASA-N
XLogP3.13
TPSA108.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (1S,2S,3S,5S)-5-(6-aminopurin-9-yl)-3-phenylmethoxy-2-(phenylmethoxymethyl)cyclopentan-1-ol with MolForge

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Related Compounds

(1S,2S,3S,5S)-5-(6-amino-8-bromopurin-9-yl)-3-phenylmethoxy-2-(phenylmethoxymethyl)cyclopentan-1-ol
CID 10577980
5-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)-3-phenylmethoxy-2-(phenylmethoxymethyl)cyclopentan-1-ol
CID 54198845
9-[(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]purin-6-amine
CID 11570129
9-[(3R,4S)-4-phenylmethoxyoxolan-3-yl]purin-6-amine
CID 10638769
[(1R,2R,3R,4R)-4-(6-aminopurin-9-yl)-2,3-bis(phenylmethoxy)cyclopentyl]methanol
CID 10433651
(2R,4R,5S,6S,7R)-2-(6-aminopurin-9-yl)-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-one
CID 146028016
(1S,2R,3S,5S)-5-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-6-phenylmethoxypurin-9-yl]-3-phenylmethoxy-2-(phenylmethoxymethyl)cyclopentan-1-ol
CID 99649405
(1S,2S,3S,5R)-5-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-6-phenylmethoxypurin-9-yl]-3-phenylmethoxy-2-(phenylmethoxymethyl)cyclopentan-1-ol
CID 99681084
9-[(1S,2S,5S)-5-(phenylmethoxymethyl)-2-bicyclo[3.1.0]hexanyl]purin-6-amine
CID 10042585
1-[(1R,2R,3R,4R)-2-hydroxy-4-phenylmethoxy-3-(phenylmethoxymethyl)cyclopentyl]pyrimidine-2,4-dione
CID 10574236
1-[2-hydroxy-4-phenylmethoxy-3-(phenylmethoxymethyl)cyclopentyl]-5-iodopyrimidine-2,4-dione
CID 19007161
(1S,2R,3S,4R)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentane-1-carboxylic acid
CID 23241675

Frequently Asked Questions

What is the IUPAC name of (1S,2S,3S,5S)-5-(6-aminopurin-9-yl)-3-phenylmethoxy-2-(phenylmethoxymethyl)cyclopentan-1-ol?
The IUPAC name of (1S,2S,3S,5S)-5-(6-aminopurin-9-yl)-3-phenylmethoxy-2-(phenylmethoxymethyl)cyclopentan-1-ol (CID 10837060) is (1S,2S,3S,5S)-5-(6-aminopurin-9-yl)-3-phenylmethoxy-2-(phenylmethoxymethyl)cyclopentan-1-ol.
What is the SMILES notation for (1S,2S,3S,5S)-5-(6-aminopurin-9-yl)-3-phenylmethoxy-2-(phenylmethoxymethyl)cyclopentan-1-ol?
The canonical SMILES for (1S,2S,3S,5S)-5-(6-aminopurin-9-yl)-3-phenylmethoxy-2-(phenylmethoxymethyl)cyclopentan-1-ol is Nc1ncnc2c1ncn2[C@H]1C[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)[C@@H]1O.
What is the InChIKey of (1S,2S,3S,5S)-5-(6-aminopurin-9-yl)-3-phenylmethoxy-2-(phenylmethoxymethyl)cyclopentan-1-ol?
The InChIKey is CNAHDMQJIGIOQT-FBPBVXOASA-N. The full InChI is InChI=1S/C25H27N5O3/c26-24-22-25(28-15-27-24)30(16-29-22)20-11-21(33-13-18-9-5-2-6-10-18)19(23(20)31)14-32-12-17-7-3-1-4-8-17/h1-10,15-16,19-21,23,31H,11-14H2,(H2,26,27,28)/t19-,20+,21+,23+/m1/s1.
What are the key properties of (1S,2S,3S,5S)-5-(6-aminopurin-9-yl)-3-phenylmethoxy-2-(phenylmethoxymethyl)cyclopentan-1-ol?
(1S,2S,3S,5S)-5-(6-aminopurin-9-yl)-3-phenylmethoxy-2-(phenylmethoxymethyl)cyclopentan-1-ol has a molecular weight of 445.52 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3S,5S)-5-(6-aminopurin-9-yl)-3-phenylmethoxy-2-(phenylmethoxymethyl)cyclopentan-1-ol is sourced from PubChem (CID 10837060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).