(2S,4S,5R)-3-amino-5-(hydroxymethyl)-2-purin-9-yloxolane-2,4-diol

C10H13N5O4 — CID 90718086

IUPAC(2S,4S,5R)-3-amino-5-(hydroxymethyl)-2-purin-9-yloxolane-2,4-diol
SMILESNC1[C@H](O)[C@@H](CO)O[C@]1(O)n1cnc2cncnc21
InChIInChI=1S/C10H13N5O4/c11-8-7(17)6(2-16)19-10(8,18)15-4-14-5-1-12-3-13-9(5)15/h1,3-4,6-8,16-18H,2,11H2/t6-,7-,8?,10+/m1/s1
InChIKeyXGTORQHTRODWIF-VFZCAURZSA-N
MW267.25 g/mol
LogP-2.49
Rot. Bonds2

About (2S,4S,5R)-3-amino-5-(hydroxymethyl)-2-purin-9-yloxolane-2,4-diol

(2S,4S,5R)-3-amino-5-(hydroxymethyl)-2-purin-9-yloxolane-2,4-diol (PubChem CID 90718086) has the molecular formula C10H13N5O4 and a molecular weight of 267.25 g/mol. Its IUPAC name is (2S,4S,5R)-3-amino-5-(hydroxymethyl)-2-purin-9-yloxolane-2,4-diol.

Molecular Properties

Compound Name(2S,4S,5R)-3-amino-5-(hydroxymethyl)-2-purin-9-yloxolane-2,4-diol
PubChem CID90718086
Molecular FormulaC10H13N5O4
Molecular Weight267.25 g/mol
Exact Mass267.10
IUPAC Name(2S,4S,5R)-3-amino-5-(hydroxymethyl)-2-purin-9-yloxolane-2,4-diol
SMILESNC1[C@H](O)[C@@H](CO)O[C@]1(O)n1cnc2cncnc21
InChIInChI=1S/C10H13N5O4/c11-8-7(17)6(2-16)19-10(8,18)15-4-14-5-1-12-3-13-9(5)15/h1,3-4,6-8,16-18H,2,11H2/t6-,7-,8?,10+/m1/s1
InChIKeyXGTORQHTRODWIF-VFZCAURZSA-N
XLogP-2.49
TPSA139.54 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 5-2.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

(3R,4S,5R)-2,5-bis(hydroxymethyl)-2-purin-9-yloxolane-3,4-diol
CID 56616479
(3R,4S,5R)-5-(hydroxymethyl)-2-piperazin-1-yl-2-purin-9-yloxolane-3,4-diol
CID 57105902
(2S,3R,4R,5R)-2-(hydroxymethyl)-5-purin-9-yloxolane-3,4-diol
CID 676112
(2R,3R,4R,5R)-4-fluoro-2-(hydroxymethyl)-5-purin-9-yloxolan-3-ol
CID 56980111
(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-2-methyloxolane-3,4-diol
CID 126731683
ethane-1,2-diol;purin-9-amine
CID 174612658
(2R,3R,4S,5R)-2-(8-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 102318068
(2R,3R,4S,5R)-2-(2-aminoprop-2-enyl)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 67537410
(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 58142645
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-2-methoxyoxolane-3,4-diol
CID 68646354
(2S,3R,4S,5R)-2-(6-aminopurin-9-yl)-2-[[(2S,3R,4S,5R)-2-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-chloromethyl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 154422167
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-2-(3-methylbutyl)oxolane-3,4-diol
CID 67124950

Frequently Asked Questions

What is the IUPAC name of (2S,4S,5R)-3-amino-5-(hydroxymethyl)-2-purin-9-yloxolane-2,4-diol?
The IUPAC name of (2S,4S,5R)-3-amino-5-(hydroxymethyl)-2-purin-9-yloxolane-2,4-diol (CID 90718086) is (2S,4S,5R)-3-amino-5-(hydroxymethyl)-2-purin-9-yloxolane-2,4-diol.
What is the SMILES notation for (2S,4S,5R)-3-amino-5-(hydroxymethyl)-2-purin-9-yloxolane-2,4-diol?
The canonical SMILES for (2S,4S,5R)-3-amino-5-(hydroxymethyl)-2-purin-9-yloxolane-2,4-diol is NC1[C@H](O)[C@@H](CO)O[C@]1(O)n1cnc2cncnc21.
What is the InChIKey of (2S,4S,5R)-3-amino-5-(hydroxymethyl)-2-purin-9-yloxolane-2,4-diol?
The InChIKey is XGTORQHTRODWIF-VFZCAURZSA-N. The full InChI is InChI=1S/C10H13N5O4/c11-8-7(17)6(2-16)19-10(8,18)15-4-14-5-1-12-3-13-9(5)15/h1,3-4,6-8,16-18H,2,11H2/t6-,7-,8?,10+/m1/s1.
What are the key properties of (2S,4S,5R)-3-amino-5-(hydroxymethyl)-2-purin-9-yloxolane-2,4-diol?
(2S,4S,5R)-3-amino-5-(hydroxymethyl)-2-purin-9-yloxolane-2,4-diol has a molecular weight of 267.25 g/mol, XLogP of -2.49, 2 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5R)-3-amino-5-(hydroxymethyl)-2-purin-9-yloxolane-2,4-diol is sourced from PubChem (CID 90718086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).