(1R,2R,3S)-4-(6-aminopurin-9-yl)cyclopent-4-ene-1,2,3-triol

C10H11N5O3 — CID 11253697

IUPAC(1R,2R,3S)-4-(6-aminopurin-9-yl)cyclopent-4-ene-1,2,3-triol
SMILESNc1ncnc2c1ncn2C1=C[C@@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C10H11N5O3/c11-9-6-10(13-2-12-9)15(3-14-6)4-1-5(16)8(18)7(4)17/h1-3,5,7-8,16-18H,(H2,11,12,13)/t5-,7+,8-/m1/s1
InChIKeyKMEKAGAOVOIXLV-MHSYXAOVSA-N
MW249.23 g/mol
LogP-1.65
Rot. Bonds1

About (1R,2R,3S)-4-(6-aminopurin-9-yl)cyclopent-4-ene-1,2,3-triol

(1R,2R,3S)-4-(6-aminopurin-9-yl)cyclopent-4-ene-1,2,3-triol (PubChem CID 11253697) has the molecular formula C10H11N5O3 and a molecular weight of 249.23 g/mol. Its IUPAC name is (1R,2R,3S)-4-(6-aminopurin-9-yl)cyclopent-4-ene-1,2,3-triol.

Molecular Properties

Compound Name(1R,2R,3S)-4-(6-aminopurin-9-yl)cyclopent-4-ene-1,2,3-triol
PubChem CID11253697
Molecular FormulaC10H11N5O3
Molecular Weight249.23 g/mol
Exact Mass249.09
IUPAC Name(1R,2R,3S)-4-(6-aminopurin-9-yl)cyclopent-4-ene-1,2,3-triol
SMILESNc1ncnc2c1ncn2C1=C[C@@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C10H11N5O3/c11-9-6-10(13-2-12-9)15(3-14-6)4-1-5(16)8(18)7(4)17/h1-3,5,7-8,16-18H,(H2,11,12,13)/t5-,7+,8-/m1/s1
InChIKeyKMEKAGAOVOIXLV-MHSYXAOVSA-N
XLogP-1.65
TPSA130.31 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 5-1.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

9-[4,6-bis(6-aminopurin-9-yl)-1,3,5-triazin-2-yl]purin-6-amine
CID 102192385
(5R)-5-(6-aminopurin-9-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol
CID 59963007
(1S,2S,5S)-3-[(6-aminopurin-9-yl)methyl]-5-methoxycyclopent-3-ene-1,2-diol
CID 10925049
(1S,2R,5R)-5-(6-aminopurin-9-yl)-3-ethenylcyclopent-3-ene-1,2-diol
CID 512658
(2R,3S,4S,5E)-2-(6-aminopurin-9-yl)-5-(fluoromethylidene)oxolane-3,4-diol
CID 14803094
(1S,2R,5S)-5-(6-aminopurin-9-yl)-3-(hydroxymethyl)-4-iodocyclopent-3-ene-1,2-diol
CID 53318848
2-(6-aminopurin-9-yl)-5-(fluoromethylidene)oxolane-3,4-diol
CID 54101612
(1R,2S,3S)-3-(6-aminopurin-9-yl)cyclopentane-1,2-diol;hydrochloride
CID 67400783
(1R,2S,3R,5R)-5-(6-aminopurin-9-yl)-3-(hydroxymethyl)-3-methylcyclopentane-1,2-diol
CID 102512363
(1S,4S)-4-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclopent-2-en-1-ol
CID 506144
(2R,5S)-2-(6-aminopurin-9-yl)-5-methoxyoxolane-3,4-diol
CID 67588399
4-(6-aminopurin-9-yl)cyclohex-2-en-1-ol
CID 19047346

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S)-4-(6-aminopurin-9-yl)cyclopent-4-ene-1,2,3-triol?
The IUPAC name of (1R,2R,3S)-4-(6-aminopurin-9-yl)cyclopent-4-ene-1,2,3-triol (CID 11253697) is (1R,2R,3S)-4-(6-aminopurin-9-yl)cyclopent-4-ene-1,2,3-triol.
What is the SMILES notation for (1R,2R,3S)-4-(6-aminopurin-9-yl)cyclopent-4-ene-1,2,3-triol?
The canonical SMILES for (1R,2R,3S)-4-(6-aminopurin-9-yl)cyclopent-4-ene-1,2,3-triol is Nc1ncnc2c1ncn2C1=C[C@@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of (1R,2R,3S)-4-(6-aminopurin-9-yl)cyclopent-4-ene-1,2,3-triol?
The InChIKey is KMEKAGAOVOIXLV-MHSYXAOVSA-N. The full InChI is InChI=1S/C10H11N5O3/c11-9-6-10(13-2-12-9)15(3-14-6)4-1-5(16)8(18)7(4)17/h1-3,5,7-8,16-18H,(H2,11,12,13)/t5-,7+,8-/m1/s1.
What are the key properties of (1R,2R,3S)-4-(6-aminopurin-9-yl)cyclopent-4-ene-1,2,3-triol?
(1R,2R,3S)-4-(6-aminopurin-9-yl)cyclopent-4-ene-1,2,3-triol has a molecular weight of 249.23 g/mol, XLogP of -1.65, 1 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S)-4-(6-aminopurin-9-yl)cyclopent-4-ene-1,2,3-triol is sourced from PubChem (CID 11253697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).