2-[[(2R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]butanedioic acid

C14H17N5O7 — CID 69101122

IUPAC2-[[(2R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]butanedioic acid
SMILESNc1ncnc2c1ncn2[C@@H]1O[C@H](CC(CC(=O)O)C(=O)O)C(O)C1O
InChIInChI=1S/C14H17N5O7/c15-11-8-12(17-3-16-11)19(4-18-8)13-10(23)9(22)6(26-13)1-5(14(24)25)2-7(20)21/h3-6,9-10,13,22-23H,1-2H2,(H,20,21)(H,24,25)(H2,15,16,17)/t5?,6-,9?,10?,13-/m1/s1
InChIKeyUYQVKJRMCSWIIN-WNEFHGIWSA-N
MW367.32 g/mol
LogP-1.41
Rot. Bonds6

About 2-[[(2R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]butanedioic acid

2-[[(2R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]butanedioic acid (PubChem CID 69101122) has the molecular formula C14H17N5O7 and a molecular weight of 367.32 g/mol. Its IUPAC name is 2-[[(2R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]butanedioic acid.

Molecular Properties

Compound Name2-[[(2R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]butanedioic acid
PubChem CID69101122
Molecular FormulaC14H17N5O7
Molecular Weight367.32 g/mol
Exact Mass367.11
IUPAC Name2-[[(2R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]butanedioic acid
SMILESNc1ncnc2c1ncn2[C@@H]1O[C@H](CC(CC(=O)O)C(=O)O)C(O)C1O
InChIInChI=1S/C14H17N5O7/c15-11-8-12(17-3-16-11)19(4-18-8)13-10(23)9(22)6(26-13)1-5(14(24)25)2-7(20)21/h3-6,9-10,13,22-23H,1-2H2,(H,20,21)(H,24,25)(H2,15,16,17)/t5?,6-,9?,10?,13-/m1/s1
InChIKeyUYQVKJRMCSWIIN-WNEFHGIWSA-N
XLogP-1.41
TPSA193.91 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.32
LogP ≤ 5-1.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 2-[[(2R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]butanedioic acid with MolForge

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Launch Full Analysis

Related Compounds

(3R)-3-amino-4-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-4-oxobutanoic acid
CID 16736570
(2S)-2-amino-3-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]propanoic acid
CID 90672628
(2R,3S,5S)-2-(6-aminopurin-9-yl)-5-(sulfanylmethyl)oxolane-3,4-diol
CID 59737005
(2R,3S,4S,5S)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolane-2-carboxylic acid
CID 7264462
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolane-3,4-diol
CID 123223819
(2S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 163837057
2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 191
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 23279550
(2R,3R,4S,5R)-2-(6-(15N)azanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 11129405
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;chromium
CID 87862906
2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;hydrochloride
CID 18755237
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;phosphane
CID 158226828

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]butanedioic acid?
The IUPAC name of 2-[[(2R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]butanedioic acid (CID 69101122) is 2-[[(2R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]butanedioic acid.
What is the SMILES notation for 2-[[(2R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]butanedioic acid?
The canonical SMILES for 2-[[(2R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]butanedioic acid is Nc1ncnc2c1ncn2[C@@H]1O[C@H](CC(CC(=O)O)C(=O)O)C(O)C1O.
What is the InChIKey of 2-[[(2R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]butanedioic acid?
The InChIKey is UYQVKJRMCSWIIN-WNEFHGIWSA-N. The full InChI is InChI=1S/C14H17N5O7/c15-11-8-12(17-3-16-11)19(4-18-8)13-10(23)9(22)6(26-13)1-5(14(24)25)2-7(20)21/h3-6,9-10,13,22-23H,1-2H2,(H,20,21)(H,24,25)(H2,15,16,17)/t5?,6-,9?,10?,13-/m1/s1.
What are the key properties of 2-[[(2R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]butanedioic acid?
2-[[(2R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]butanedioic acid has a molecular weight of 367.32 g/mol, XLogP of -1.41, 6 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]butanedioic acid is sourced from PubChem (CID 69101122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).