(2R,3R,4S,5R)-2-(5,6-diamino-2H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

C10H16N6O4 — CID 67350682

IUPAC(2R,3R,4S,5R)-2-(5,6-diamino-2H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SMILESNC1=NCN=C2N([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C=NC12N
InChIInChI=1S/C10H16N6O4/c11-8-10(12)9(14-2-13-8)16(3-15-10)7-6(19)5(18)4(1-17)20-7/h3-7,17-19H,1-2,12H2,(H2,11,13)/t4-,5-,6-,7-,10?/m1/s1
InChIKeyDNTQTGXZQJJAIL-DKZDHXMOSA-N
MW284.28 g/mol
LogP-3.85
Rot. Bonds2

About (2R,3R,4S,5R)-2-(5,6-diamino-2H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

(2R,3R,4S,5R)-2-(5,6-diamino-2H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 67350682) has the molecular formula C10H16N6O4 and a molecular weight of 284.28 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-(5,6-diamino-2H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-2-(5,6-diamino-2H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID67350682
Molecular FormulaC10H16N6O4
Molecular Weight284.28 g/mol
Exact Mass284.12
IUPAC Name(2R,3R,4S,5R)-2-(5,6-diamino-2H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SMILESNC1=NCN=C2N([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C=NC12N
InChIInChI=1S/C10H16N6O4/c11-8-10(12)9(14-2-13-8)16(3-15-10)7-6(19)5(18)4(1-17)20-7/h3-7,17-19H,1-2,12H2,(H2,11,13)/t4-,5-,6-,7-,10?/m1/s1
InChIKeyDNTQTGXZQJJAIL-DKZDHXMOSA-N
XLogP-3.85
TPSA162.28 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 5-3.85
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze (2R,3R,4S,5R)-2-(5,6-diamino-2H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol with MolForge

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Related Compounds

2,5-diamino-9-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-one
CID 56986147
4-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2H-purine-5-carbonyl]benzenesulfonyl fluoride;hydrochloride
CID 122623476
2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,5-dimethyl-1H-purin-6-one
CID 175490734
2-[2-amino-2-(carboxymethyl)-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1H-purin-5-yl]acetic acid
CID 175433870
(3R,4S,5R)-2-(4-amino-2H-1,3,5-triazin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 54568488
(2R,3R,5S)-2-(4-amino-2-methylidene-1,3,5-triazin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 174094042
(2R,3R,5R)-2-(4-amino-2-methylidene-1,3,5-triazin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 174094040
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-imino-2,5-dimethylpurin-9-yl)oxolane-3,4-diol
CID 174642180
(2R,3R,4S,5R)-2-[6-amino-4-(hydroxymethyl)-8H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 69050541
(2R,3S,4S,5R)-2-(6-amino-4H-pyrimidin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 67605890
(3R,4S,5S)-2-(6-amino-2,5-dihydropurin-9-yl)-5-(2-fluoroethylsulfanylmethyl)oxolane-3,4-diol
CID 46876310
2-amino-9-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-purin-6-one
CID 91668485

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-(5,6-diamino-2H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (2R,3R,4S,5R)-2-(5,6-diamino-2H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol (CID 67350682) is (2R,3R,4S,5R)-2-(5,6-diamino-2H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5R)-2-(5,6-diamino-2H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5R)-2-(5,6-diamino-2H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol is NC1=NCN=C2N([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C=NC12N.
What is the InChIKey of (2R,3R,4S,5R)-2-(5,6-diamino-2H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is DNTQTGXZQJJAIL-DKZDHXMOSA-N. The full InChI is InChI=1S/C10H16N6O4/c11-8-10(12)9(14-2-13-8)16(3-15-10)7-6(19)5(18)4(1-17)20-7/h3-7,17-19H,1-2,12H2,(H2,11,13)/t4-,5-,6-,7-,10?/m1/s1.
What are the key properties of (2R,3R,4S,5R)-2-(5,6-diamino-2H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
(2R,3R,4S,5R)-2-(5,6-diamino-2H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 284.28 g/mol, XLogP of -3.85, 2 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-2-(5,6-diamino-2H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 67350682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).