(2R,3S,4R,5R)-4-amino-5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)-4-methyloxolan-3-ol

C11H17N7O3 — CID 90445147

IUPAC(2R,3S,4R,5R)-4-amino-5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)-4-methyloxolan-3-ol
SMILESC[C@@]1(N)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)nc(N)nc21
InChIInChI=1S/C11H17N7O3/c1-11(14)6(20)4(2-19)21-9(11)18-3-15-5-7(12)16-10(13)17-8(5)18/h3-4,6,9,19-20H,2,14H2,1H3,(H4,12,13,16,17)/t4-,6-,9-,11-/m1/s1
InChIKeyWTCNSFAGTKHVHS-GITKWUPZSA-N
MW295.30 g/mol
LogP-2.04
Rot. Bonds2

About (2R,3S,4R,5R)-4-amino-5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)-4-methyloxolan-3-ol

(2R,3S,4R,5R)-4-amino-5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)-4-methyloxolan-3-ol (PubChem CID 90445147) has the molecular formula C11H17N7O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is (2R,3S,4R,5R)-4-amino-5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)-4-methyloxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,4R,5R)-4-amino-5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)-4-methyloxolan-3-ol
PubChem CID90445147
Molecular FormulaC11H17N7O3
Molecular Weight295.30 g/mol
Exact Mass295.14
IUPAC Name(2R,3S,4R,5R)-4-amino-5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)-4-methyloxolan-3-ol
SMILESC[C@@]1(N)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)nc(N)nc21
InChIInChI=1S/C11H17N7O3/c1-11(14)6(20)4(2-19)21-9(11)18-3-15-5-7(12)16-10(13)17-8(5)18/h3-4,6,9,19-20H,2,14H2,1H3,(H4,12,13,16,17)/t4-,6-,9-,11-/m1/s1
InChIKeyWTCNSFAGTKHVHS-GITKWUPZSA-N
XLogP-2.04
TPSA171.35 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 5-2.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze (2R,3S,4R,5R)-4-amino-5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)-4-methyloxolan-3-ol with MolForge

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Related Compounds

(2R,3R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 90799611
(2R,3S,4R,5R)-4-amino-5-(2-amino-6-ethoxypurin-9-yl)-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 66576345
4-amino-5-[2-amino-6-(azetidin-1-yl)purin-9-yl]-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 77147039
(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-2-(hydroxymethyl)-4,4-dimethyloxolan-3-ol
CID 167334641
(2R,3R,4R,5S)-5-(2-amino-6-chloropurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 126970527
(3R,4R)-5-(2-amino-6-methylpurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 58460922
5-(2-amino-6-chloropurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 20846061
(2R,3S,5R)-2-(2-amino-6-methoxypurin-9-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 58455338
2-[2-amino-6-(dimethylamino)purin-9-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 67431468
(2R,3R,4R,5R)-2-(2-amino-6-methylsulfanylpurin-9-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 56658823
(2R,5R)-5-(2-amino-6-methoxypurin-9-yl)-4,4-dibromo-2-(hydroxymethyl)oxolan-3-ol
CID 154011880
[(2S,5R)-5-(2,6-diaminopurin-9-yl)-4-fluoro-4-methyloxolan-2-yl]methanol
CID 66696300

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-4-amino-5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)-4-methyloxolan-3-ol?
The IUPAC name of (2R,3S,4R,5R)-4-amino-5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)-4-methyloxolan-3-ol (CID 90445147) is (2R,3S,4R,5R)-4-amino-5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)-4-methyloxolan-3-ol.
What is the SMILES notation for (2R,3S,4R,5R)-4-amino-5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)-4-methyloxolan-3-ol?
The canonical SMILES for (2R,3S,4R,5R)-4-amino-5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)-4-methyloxolan-3-ol is C[C@@]1(N)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)nc(N)nc21.
What is the InChIKey of (2R,3S,4R,5R)-4-amino-5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)-4-methyloxolan-3-ol?
The InChIKey is WTCNSFAGTKHVHS-GITKWUPZSA-N. The full InChI is InChI=1S/C11H17N7O3/c1-11(14)6(20)4(2-19)21-9(11)18-3-15-5-7(12)16-10(13)17-8(5)18/h3-4,6,9,19-20H,2,14H2,1H3,(H4,12,13,16,17)/t4-,6-,9-,11-/m1/s1.
What are the key properties of (2R,3S,4R,5R)-4-amino-5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)-4-methyloxolan-3-ol?
(2R,3S,4R,5R)-4-amino-5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)-4-methyloxolan-3-ol has a molecular weight of 295.30 g/mol, XLogP of -2.04, 2 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-4-amino-5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)-4-methyloxolan-3-ol is sourced from PubChem (CID 90445147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).