[(2R,3S,4R,6S)-3,4-dihydroxy-6-(2H-tetrazol-5-yl)oxan-2-yl]methyl dihydrogen phosphate

C7H13N4O7P — CID 10063126

IUPAC[(2R,3S,4R,6S)-3,4-dihydroxy-6-(2H-tetrazol-5-yl)oxan-2-yl]methyl dihydrogen phosphate
SMILESO=P(O)(O)OC[C@H]1O[C@H](c2nn[nH]n2)C[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H13N4O7P/c12-3-1-4(7-8-10-11-9-7)18-5(6(3)13)2-17-19(14,15)16/h3-6,12-13H,1-2H2,(H2,14,15,16)(H,8,9,10,11)/t3-,4+,5-,6+/m1/s1
InChIKeyDINRJTBFHXLNFA-MOJAZDJTSA-N
MW296.18 g/mol
LogP-2.14
Rot. Bonds4

About [(2R,3S,4R,6S)-3,4-dihydroxy-6-(2H-tetrazol-5-yl)oxan-2-yl]methyl dihydrogen phosphate

[(2R,3S,4R,6S)-3,4-dihydroxy-6-(2H-tetrazol-5-yl)oxan-2-yl]methyl dihydrogen phosphate (PubChem CID 10063126) has the molecular formula C7H13N4O7P and a molecular weight of 296.18 g/mol. Its IUPAC name is [(2R,3S,4R,6S)-3,4-dihydroxy-6-(2H-tetrazol-5-yl)oxan-2-yl]methyl dihydrogen phosphate.

Molecular Properties

Compound Name[(2R,3S,4R,6S)-3,4-dihydroxy-6-(2H-tetrazol-5-yl)oxan-2-yl]methyl dihydrogen phosphate
PubChem CID10063126
Molecular FormulaC7H13N4O7P
Molecular Weight296.18 g/mol
Exact Mass296.05
IUPAC Name[(2R,3S,4R,6S)-3,4-dihydroxy-6-(2H-tetrazol-5-yl)oxan-2-yl]methyl dihydrogen phosphate
SMILESO=P(O)(O)OC[C@H]1O[C@H](c2nn[nH]n2)C[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H13N4O7P/c12-3-1-4(7-8-10-11-9-7)18-5(6(3)13)2-17-19(14,15)16/h3-6,12-13H,1-2H2,(H2,14,15,16)(H,8,9,10,11)/t3-,4+,5-,6+/m1/s1
InChIKeyDINRJTBFHXLNFA-MOJAZDJTSA-N
XLogP-2.14
TPSA170.91 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.18
LogP ≤ 5-2.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[(2R,4R)-3,4-dihydroxyoxan-2-yl]methyl dihydrogen phosphate
CID 71089787
[(3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 167077165
[(2R,4S,5R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 91746440
[(2R,3S,4S,5S)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 46876838
(3-hydroxy-5-methyloxolan-2-yl)methyl dihydrogen phosphate
CID 23594182
sodium (3,4,6-trihydroxyoxan-2-yl)methyl hydrogen phosphate
CID 171320787
CID 131865245
CID 131865245
CID 163774685
CID 163774685
[(2R,3S,4R)-3,4-dihydroxy-5-methyloxolan-2-yl]methyl dihydrogen phosphate
CID 166808827
[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 624
[(2R,4R,5R)-2,3,4,5-tetrahydroxycyclohexyl]methyl dihydrogen phosphate
CID 130291243
[3,4-dihydroxy-5-(4-oxo-1-pyridinyl)oxolan-2-yl]methyl dihydrogen phosphate
CID 3274684

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,6S)-3,4-dihydroxy-6-(2H-tetrazol-5-yl)oxan-2-yl]methyl dihydrogen phosphate?
The IUPAC name of [(2R,3S,4R,6S)-3,4-dihydroxy-6-(2H-tetrazol-5-yl)oxan-2-yl]methyl dihydrogen phosphate (CID 10063126) is [(2R,3S,4R,6S)-3,4-dihydroxy-6-(2H-tetrazol-5-yl)oxan-2-yl]methyl dihydrogen phosphate.
What is the SMILES notation for [(2R,3S,4R,6S)-3,4-dihydroxy-6-(2H-tetrazol-5-yl)oxan-2-yl]methyl dihydrogen phosphate?
The canonical SMILES for [(2R,3S,4R,6S)-3,4-dihydroxy-6-(2H-tetrazol-5-yl)oxan-2-yl]methyl dihydrogen phosphate is O=P(O)(O)OC[C@H]1O[C@H](c2nn[nH]n2)C[C@@H](O)[C@@H]1O.
What is the InChIKey of [(2R,3S,4R,6S)-3,4-dihydroxy-6-(2H-tetrazol-5-yl)oxan-2-yl]methyl dihydrogen phosphate?
The InChIKey is DINRJTBFHXLNFA-MOJAZDJTSA-N. The full InChI is InChI=1S/C7H13N4O7P/c12-3-1-4(7-8-10-11-9-7)18-5(6(3)13)2-17-19(14,15)16/h3-6,12-13H,1-2H2,(H2,14,15,16)(H,8,9,10,11)/t3-,4+,5-,6+/m1/s1.
What are the key properties of [(2R,3S,4R,6S)-3,4-dihydroxy-6-(2H-tetrazol-5-yl)oxan-2-yl]methyl dihydrogen phosphate?
[(2R,3S,4R,6S)-3,4-dihydroxy-6-(2H-tetrazol-5-yl)oxan-2-yl]methyl dihydrogen phosphate has a molecular weight of 296.18 g/mol, XLogP of -2.14, 4 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R,6S)-3,4-dihydroxy-6-(2H-tetrazol-5-yl)oxan-2-yl]methyl dihydrogen phosphate is sourced from PubChem (CID 10063126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).