(1S,2R,3S,4R)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentane-1-carboxylic acid

C11H13N5O4 — CID 23241675

IUPAC(1S,2R,3S,4R)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentane-1-carboxylic acid
SMILESNc1ncnc2c1ncn2[C@@H]1C[C@H](C(=O)O)[C@@H](O)[C@H]1O
InChIInChI=1S/C11H13N5O4/c12-9-6-10(14-2-13-9)16(3-15-6)5-1-4(11(19)20)7(17)8(5)18/h2-5,7-8,17-18H,1H2,(H,19,20)(H2,12,13,14)/t4-,5+,7+,8-/m0/s1
InChIKeyHEFXKRBRHMSPAV-LAHCRNKXSA-N
MW279.26 g/mol
LogP-1.22
Rot. Bonds2

About (1S,2R,3S,4R)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentane-1-carboxylic acid

(1S,2R,3S,4R)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentane-1-carboxylic acid (PubChem CID 23241675) has the molecular formula C11H13N5O4 and a molecular weight of 279.26 g/mol. Its IUPAC name is (1S,2R,3S,4R)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name(1S,2R,3S,4R)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentane-1-carboxylic acid
PubChem CID23241675
Molecular FormulaC11H13N5O4
Molecular Weight279.26 g/mol
Exact Mass279.10
IUPAC Name(1S,2R,3S,4R)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentane-1-carboxylic acid
SMILESNc1ncnc2c1ncn2[C@@H]1C[C@H](C(=O)O)[C@@H](O)[C@H]1O
InChIInChI=1S/C11H13N5O4/c12-9-6-10(14-2-13-9)16(3-15-6)5-1-4(11(19)20)7(17)8(5)18/h2-5,7-8,17-18H,1H2,(H,19,20)(H2,12,13,14)/t4-,5+,7+,8-/m0/s1
InChIKeyHEFXKRBRHMSPAV-LAHCRNKXSA-N
XLogP-1.22
TPSA147.38 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 5-1.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze (1S,2R,3S,4R)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentane-1-carboxylic acid with MolForge

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Related Compounds

(1R,2S,3R,4S)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentane-1-carboxamide
CID 57098352
butyl 4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentane-1-carboxylate
CID 19996044
[(1S,2S,3S,4R)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentyl] 2,2-dimethylpropanoate
CID 11142243
(1R,2S,3R,5R)-3-(6-aminopurin-9-yl)-5-[(E)-2-fluoroethenyl]cyclopentane-1,2-diol
CID 10660300
(1R,2S,3S)-3-(6-aminopurin-9-yl)cyclopentane-1,2-diol;hydrochloride
CID 67400783
[(2R,3S)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentyl]methyl dihydrogen phosphate
CID 15954478
4-(aminomethyl)-2-(6-aminopurin-9-yl)cyclopentan-1-ol
CID 144745895
(2R,3S,4S,5S)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolane-2-carboxylic acid
CID 7264462
5-(6-aminopurin-9-yl)-2-(hydroxymethyl)thiolan-3-ol
CID 23358719
cis-(2S,3R)-3-(6-aminopurin-9-yl)-2-hydroxy-5-(hydroxymethyl)cyclopentan-1-one
CID 11987727
(1R,2S,3R,5R)-5-(6-aminopurin-9-yl)-3-(hydroxymethyl)-3-methylcyclopentane-1,2-diol
CID 102512363
(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxane-3,4-diol
CID 10660443

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3S,4R)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentane-1-carboxylic acid?
The IUPAC name of (1S,2R,3S,4R)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentane-1-carboxylic acid (CID 23241675) is (1S,2R,3S,4R)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentane-1-carboxylic acid.
What is the SMILES notation for (1S,2R,3S,4R)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentane-1-carboxylic acid?
The canonical SMILES for (1S,2R,3S,4R)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentane-1-carboxylic acid is Nc1ncnc2c1ncn2[C@@H]1C[C@H](C(=O)O)[C@@H](O)[C@H]1O.
What is the InChIKey of (1S,2R,3S,4R)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentane-1-carboxylic acid?
The InChIKey is HEFXKRBRHMSPAV-LAHCRNKXSA-N. The full InChI is InChI=1S/C11H13N5O4/c12-9-6-10(14-2-13-9)16(3-15-6)5-1-4(11(19)20)7(17)8(5)18/h2-5,7-8,17-18H,1H2,(H,19,20)(H2,12,13,14)/t4-,5+,7+,8-/m0/s1.
What are the key properties of (1S,2R,3S,4R)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentane-1-carboxylic acid?
(1S,2R,3S,4R)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentane-1-carboxylic acid has a molecular weight of 279.26 g/mol, XLogP of -1.22, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S,4R)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentane-1-carboxylic acid is sourced from PubChem (CID 23241675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).