cis-(2S,3R)-3-(6-aminopurin-9-yl)-2-hydroxy-5-(hydroxymethyl)cyclopentan-1-one

C11H13N5O3 — CID 11987727

IUPACcis-(2S,3R)-3-(6-aminopurin-9-yl)-2-hydroxy-5-(hydroxymethyl)cyclopentan-1-one
SMILESNc1ncnc2c1ncn2[C@@H]1CC(CO)C(=O)[C@H]1O
InChIInChI=1S/C11H13N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h3-6,9,17,19H,1-2H2,(H2,12,13,14)/t5?,6-,9+/m1/s1
InChIKeyCWNCBQJCRSRXGI-QQBQVMTJSA-N
MW263.26 g/mol
LogP-1.11
Rot. Bonds2

About cis-(2S,3R)-3-(6-aminopurin-9-yl)-2-hydroxy-5-(hydroxymethyl)cyclopentan-1-one

cis-(2S,3R)-3-(6-aminopurin-9-yl)-2-hydroxy-5-(hydroxymethyl)cyclopentan-1-one (PubChem CID 11987727) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is cis-(2S,3R)-3-(6-aminopurin-9-yl)-2-hydroxy-5-(hydroxymethyl)cyclopentan-1-one.

Molecular Properties

Compound Namecis-(2S,3R)-3-(6-aminopurin-9-yl)-2-hydroxy-5-(hydroxymethyl)cyclopentan-1-one
PubChem CID11987727
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC Namecis-(2S,3R)-3-(6-aminopurin-9-yl)-2-hydroxy-5-(hydroxymethyl)cyclopentan-1-one
SMILESNc1ncnc2c1ncn2[C@@H]1CC(CO)C(=O)[C@H]1O
InChIInChI=1S/C11H13N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h3-6,9,17,19H,1-2H2,(H2,12,13,14)/t5?,6-,9+/m1/s1
InChIKeyCWNCBQJCRSRXGI-QQBQVMTJSA-N
XLogP-1.11
TPSA127.15 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

[4-(6-aminopurin-9-yl)-2-bicyclo[3.1.0]hexanyl]methanol
CID 10105922
[(1R,2R,4S,5S)-4-(6-aminopurin-9-yl)-2-bicyclo[3.1.0]hexanyl]methanol
CID 101208456
[(1S,2S,3S)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methanol
CID 10562568
[3-(6-aminopurin-9-yl)-2-methylidenecyclobutyl]methanol
CID 20846249
[(1R,2S)-2-(6-aminopurin-9-yl)cyclobutyl]methanol
CID 15332075
4-(aminomethyl)-2-(6-aminopurin-9-yl)cyclopentan-1-ol
CID 144745895
[(1S,4R)-4-(6-aminopurin-9-yl)-2-fluorocyclopent-2-en-1-yl]methanol
CID 15077057
[(2R,4R,5R)-4-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-2-yl]methanol
CID 101351656
(2R,3R,4R)-4-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 11425245
4-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclopentene-1,3-diol
CID 162845253
(1R,2S,3R,4S)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentane-1-carboxamide
CID 57098352
5-(6-aminopurin-9-yl)-2-(hydroxymethyl)thiolan-3-ol
CID 23358719

Frequently Asked Questions

What is the IUPAC name of cis-(2S,3R)-3-(6-aminopurin-9-yl)-2-hydroxy-5-(hydroxymethyl)cyclopentan-1-one?
The IUPAC name of cis-(2S,3R)-3-(6-aminopurin-9-yl)-2-hydroxy-5-(hydroxymethyl)cyclopentan-1-one (CID 11987727) is cis-(2S,3R)-3-(6-aminopurin-9-yl)-2-hydroxy-5-(hydroxymethyl)cyclopentan-1-one.
What is the SMILES notation for cis-(2S,3R)-3-(6-aminopurin-9-yl)-2-hydroxy-5-(hydroxymethyl)cyclopentan-1-one?
The canonical SMILES for cis-(2S,3R)-3-(6-aminopurin-9-yl)-2-hydroxy-5-(hydroxymethyl)cyclopentan-1-one is Nc1ncnc2c1ncn2[C@@H]1CC(CO)C(=O)[C@H]1O.
What is the InChIKey of cis-(2S,3R)-3-(6-aminopurin-9-yl)-2-hydroxy-5-(hydroxymethyl)cyclopentan-1-one?
The InChIKey is CWNCBQJCRSRXGI-QQBQVMTJSA-N. The full InChI is InChI=1S/C11H13N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h3-6,9,17,19H,1-2H2,(H2,12,13,14)/t5?,6-,9+/m1/s1.
What are the key properties of cis-(2S,3R)-3-(6-aminopurin-9-yl)-2-hydroxy-5-(hydroxymethyl)cyclopentan-1-one?
cis-(2S,3R)-3-(6-aminopurin-9-yl)-2-hydroxy-5-(hydroxymethyl)cyclopentan-1-one has a molecular weight of 263.26 g/mol, XLogP of -1.11, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2S,3R)-3-(6-aminopurin-9-yl)-2-hydroxy-5-(hydroxymethyl)cyclopentan-1-one is sourced from PubChem (CID 11987727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).