[(2S,3S,4S,5R)-5-amino-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate

C5H12NO7P — CID 162937739

IUPAC[(2S,3S,4S,5R)-5-amino-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
SMILESN[C@@H]1O[C@@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C5H12NO7P/c6-5-4(8)3(7)2(13-5)1-12-14(9,10)11/h2-5,7-8H,1,6H2,(H2,9,10,11)/t2-,3+,4-,5+/m0/s1
InChIKeySKCBPEVYGOQGJN-SKNVOMKLSA-N
MW229.12 g/mol
LogP-2.50
Rot. Bonds3

About [(2S,3S,4S,5R)-5-amino-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate

[(2S,3S,4S,5R)-5-amino-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate (PubChem CID 162937739) has the molecular formula C5H12NO7P and a molecular weight of 229.12 g/mol. Its IUPAC name is [(2S,3S,4S,5R)-5-amino-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate.

Molecular Properties

Compound Name[(2S,3S,4S,5R)-5-amino-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
PubChem CID162937739
Molecular FormulaC5H12NO7P
Molecular Weight229.12 g/mol
Exact Mass229.04
IUPAC Name[(2S,3S,4S,5R)-5-amino-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
SMILESN[C@@H]1O[C@@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C5H12NO7P/c6-5-4(8)3(7)2(13-5)1-12-14(9,10)11/h2-5,7-8H,1,6H2,(H2,9,10,11)/t2-,3+,4-,5+/m0/s1
InChIKeySKCBPEVYGOQGJN-SKNVOMKLSA-N
XLogP-2.50
TPSA142.47 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 5-2.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2S,3S,4S,5R)-5-amino-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate?
The IUPAC name of [(2S,3S,4S,5R)-5-amino-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate (CID 162937739) is [(2S,3S,4S,5R)-5-amino-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate.
What is the SMILES notation for [(2S,3S,4S,5R)-5-amino-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate?
The canonical SMILES for [(2S,3S,4S,5R)-5-amino-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate is N[C@@H]1O[C@@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O.
What is the InChIKey of [(2S,3S,4S,5R)-5-amino-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate?
The InChIKey is SKCBPEVYGOQGJN-SKNVOMKLSA-N. The full InChI is InChI=1S/C5H12NO7P/c6-5-4(8)3(7)2(13-5)1-12-14(9,10)11/h2-5,7-8H,1,6H2,(H2,9,10,11)/t2-,3+,4-,5+/m0/s1.
What are the key properties of [(2S,3S,4S,5R)-5-amino-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate?
[(2S,3S,4S,5R)-5-amino-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate has a molecular weight of 229.12 g/mol, XLogP of -2.50, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,4S,5R)-5-amino-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate is sourced from PubChem (CID 162937739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).