(2R,3S,4S,5S)-2-(6-amino-7H-purin-2-yl)-5-(hydroxymethyl)thiolane-3,4-diol

C10H13N5O3S — CID 70152310

IUPAC(2R,3S,4S,5S)-2-(6-amino-7H-purin-2-yl)-5-(hydroxymethyl)thiolane-3,4-diol
SMILESNc1nc([C@H]2S[C@@H](CO)[C@@H](O)[C@@H]2O)nc2nc[nH]c12
InChIInChI=1S/C10H13N5O3S/c11-8-4-9(13-2-12-4)15-10(14-8)7-6(18)5(17)3(1-16)19-7/h2-3,5-7,16-18H,1H2,(H3,11,12,13,14,15)/t3-,5+,6-,7-/m0/s1
InChIKeyDVRBTFJJPDCGCB-CDGOZMSNSA-N
MW283.31 g/mol
LogP-1.19
Rot. Bonds2

About (2R,3S,4S,5S)-2-(6-amino-7H-purin-2-yl)-5-(hydroxymethyl)thiolane-3,4-diol

(2R,3S,4S,5S)-2-(6-amino-7H-purin-2-yl)-5-(hydroxymethyl)thiolane-3,4-diol (PubChem CID 70152310) has the molecular formula C10H13N5O3S and a molecular weight of 283.31 g/mol. Its IUPAC name is (2R,3S,4S,5S)-2-(6-amino-7H-purin-2-yl)-5-(hydroxymethyl)thiolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4S,5S)-2-(6-amino-7H-purin-2-yl)-5-(hydroxymethyl)thiolane-3,4-diol
PubChem CID70152310
Molecular FormulaC10H13N5O3S
Molecular Weight283.31 g/mol
Exact Mass283.07
IUPAC Name(2R,3S,4S,5S)-2-(6-amino-7H-purin-2-yl)-5-(hydroxymethyl)thiolane-3,4-diol
SMILESNc1nc([C@H]2S[C@@H](CO)[C@@H](O)[C@@H]2O)nc2nc[nH]c12
InChIInChI=1S/C10H13N5O3S/c11-8-4-9(13-2-12-4)15-10(14-8)7-6(18)5(17)3(1-16)19-7/h2-3,5-7,16-18H,1H2,(H3,11,12,13,14,15)/t3-,5+,6-,7-/m0/s1
InChIKeyDVRBTFJJPDCGCB-CDGOZMSNSA-N
XLogP-1.19
TPSA141.17 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 5-1.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5S)-2-(6-amino-7H-purin-2-yl)-5-(hydroxymethyl)thiolane-3,4-diol?
The IUPAC name of (2R,3S,4S,5S)-2-(6-amino-7H-purin-2-yl)-5-(hydroxymethyl)thiolane-3,4-diol (CID 70152310) is (2R,3S,4S,5S)-2-(6-amino-7H-purin-2-yl)-5-(hydroxymethyl)thiolane-3,4-diol.
What is the SMILES notation for (2R,3S,4S,5S)-2-(6-amino-7H-purin-2-yl)-5-(hydroxymethyl)thiolane-3,4-diol?
The canonical SMILES for (2R,3S,4S,5S)-2-(6-amino-7H-purin-2-yl)-5-(hydroxymethyl)thiolane-3,4-diol is Nc1nc([C@H]2S[C@@H](CO)[C@@H](O)[C@@H]2O)nc2nc[nH]c12.
What is the InChIKey of (2R,3S,4S,5S)-2-(6-amino-7H-purin-2-yl)-5-(hydroxymethyl)thiolane-3,4-diol?
The InChIKey is DVRBTFJJPDCGCB-CDGOZMSNSA-N. The full InChI is InChI=1S/C10H13N5O3S/c11-8-4-9(13-2-12-4)15-10(14-8)7-6(18)5(17)3(1-16)19-7/h2-3,5-7,16-18H,1H2,(H3,11,12,13,14,15)/t3-,5+,6-,7-/m0/s1.
What are the key properties of (2R,3S,4S,5S)-2-(6-amino-7H-purin-2-yl)-5-(hydroxymethyl)thiolane-3,4-diol?
(2R,3S,4S,5S)-2-(6-amino-7H-purin-2-yl)-5-(hydroxymethyl)thiolane-3,4-diol has a molecular weight of 283.31 g/mol, XLogP of -1.19, 2 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5S)-2-(6-amino-7H-purin-2-yl)-5-(hydroxymethyl)thiolane-3,4-diol is sourced from PubChem (CID 70152310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).