(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[3-(2H-tetrazol-5-yl)-1,2,4-triazol-1-yl]oxolane-3,4-diol

C8H11N7O4 — CID 22213612

IUPAC(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[3-(2H-tetrazol-5-yl)-1,2,4-triazol-1-yl]oxolane-3,4-diol
SMILESOC[C@H]1O[C@@H](n2cnc(-c3nn[nH]n3)n2)[C@H](O)[C@@H]1O
InChIInChI=1S/C8H11N7O4/c16-1-3-4(17)5(18)8(19-3)15-2-9-6(12-15)7-10-13-14-11-7/h2-5,8,16-18H,1H2,(H,10,11,13,14)/t3-,4-,5-,8-/m1/s1
InChIKeyFAAVFOISLYIBNM-AFCXAGJDSA-N
MW269.22 g/mol
LogP-2.93
Rot. Bonds3

About (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[3-(2H-tetrazol-5-yl)-1,2,4-triazol-1-yl]oxolane-3,4-diol

(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[3-(2H-tetrazol-5-yl)-1,2,4-triazol-1-yl]oxolane-3,4-diol (PubChem CID 22213612) has the molecular formula C8H11N7O4 and a molecular weight of 269.22 g/mol. Its IUPAC name is (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[3-(2H-tetrazol-5-yl)-1,2,4-triazol-1-yl]oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[3-(2H-tetrazol-5-yl)-1,2,4-triazol-1-yl]oxolane-3,4-diol
PubChem CID22213612
Molecular FormulaC8H11N7O4
Molecular Weight269.22 g/mol
Exact Mass269.09
IUPAC Name(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[3-(2H-tetrazol-5-yl)-1,2,4-triazol-1-yl]oxolane-3,4-diol
SMILESOC[C@H]1O[C@@H](n2cnc(-c3nn[nH]n3)n2)[C@H](O)[C@@H]1O
InChIInChI=1S/C8H11N7O4/c16-1-3-4(17)5(18)8(19-3)15-2-9-6(12-15)7-10-13-14-11-7/h2-5,8,16-18H,1H2,(H,10,11,13,14)/t3-,4-,5-,8-/m1/s1
InChIKeyFAAVFOISLYIBNM-AFCXAGJDSA-N
XLogP-2.93
TPSA155.09 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 5-2.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Related Compounds

(2R,4S,5R)-2-(hydroxymethyl)-5-[3-(2H-triazol-4-yl)-1,2,4-triazol-1-yl]oxolane-3,4-diol
CID 59330625
(2R,5R)-2-(hydroxymethyl)-5-[3-(1H-pyrazol-5-yl)-1,2,4-triazol-1-yl]oxolane-3,4-diol
CID 70885247
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-1,2,4-triazol-1-yl]oxolane-3,4-diol
CID 142769782
1-[(2S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide
CID 70989848
copper;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide
CID 174517530
1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide;methane
CID 161460881
2-[1-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazol-3-yl]acetamide
CID 139901304
1-[(3R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboximidamide
CID 59108290
1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]-1,2,4-triazole-3-carboximidamide
CID 46783251
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]-1,2,4-triazole-3-carboximidamide;hydrochloride
CID 163285433
N'-butyl-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboximidamide
CID 46875944
6-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrazolo[3,4-d]triazin-4-one
CID 135459498

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[3-(2H-tetrazol-5-yl)-1,2,4-triazol-1-yl]oxolane-3,4-diol?
The IUPAC name of (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[3-(2H-tetrazol-5-yl)-1,2,4-triazol-1-yl]oxolane-3,4-diol (CID 22213612) is (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[3-(2H-tetrazol-5-yl)-1,2,4-triazol-1-yl]oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[3-(2H-tetrazol-5-yl)-1,2,4-triazol-1-yl]oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[3-(2H-tetrazol-5-yl)-1,2,4-triazol-1-yl]oxolane-3,4-diol is OC[C@H]1O[C@@H](n2cnc(-c3nn[nH]n3)n2)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[3-(2H-tetrazol-5-yl)-1,2,4-triazol-1-yl]oxolane-3,4-diol?
The InChIKey is FAAVFOISLYIBNM-AFCXAGJDSA-N. The full InChI is InChI=1S/C8H11N7O4/c16-1-3-4(17)5(18)8(19-3)15-2-9-6(12-15)7-10-13-14-11-7/h2-5,8,16-18H,1H2,(H,10,11,13,14)/t3-,4-,5-,8-/m1/s1.
What are the key properties of (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[3-(2H-tetrazol-5-yl)-1,2,4-triazol-1-yl]oxolane-3,4-diol?
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[3-(2H-tetrazol-5-yl)-1,2,4-triazol-1-yl]oxolane-3,4-diol has a molecular weight of 269.22 g/mol, XLogP of -2.93, 3 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[3-(2H-tetrazol-5-yl)-1,2,4-triazol-1-yl]oxolane-3,4-diol is sourced from PubChem (CID 22213612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).