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

C5H11NO7P- — CID 45266724

IUPAC[(2R,3S,4R,5R)-5-azaniumyl-3,4-dihydroxyoxolan-2-yl]methyl phosphate
SMILES[NH3+][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)/p-1/t2-,3-,4-,5-/m1/s1
InChIKeySKCBPEVYGOQGJN-TXICZTDVSA-M
MW228.12 g/mol
LogP-4.48
Rot. Bonds3

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

[(2R,3S,4R,5R)-5-azaniumyl-3,4-dihydroxyoxolan-2-yl]methyl phosphate (PubChem CID 45266724) has the molecular formula C5H11NO7P- and a molecular weight of 228.12 g/mol. Its IUPAC name is [(2R,3S,4R,5R)-5-azaniumyl-3,4-dihydroxyoxolan-2-yl]methyl phosphate.

Molecular Properties

Compound Name[(2R,3S,4R,5R)-5-azaniumyl-3,4-dihydroxyoxolan-2-yl]methyl phosphate
PubChem CID45266724
Molecular FormulaC5H11NO7P-
Molecular Weight228.12 g/mol
Exact Mass228.03
IUPAC Name[(2R,3S,4R,5R)-5-azaniumyl-3,4-dihydroxyoxolan-2-yl]methyl phosphate
SMILES[NH3+][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)/p-1/t2-,3-,4-,5-/m1/s1
InChIKeySKCBPEVYGOQGJN-TXICZTDVSA-M
XLogP-4.48
TPSA149.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.12
LogP ≤ 5-4.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-Phosphoribosylamine
CID 439905
(5-Amino-3,4-dihydroxyoxolan-2-yl)methyl dihydrogen phosphate
CID 150
Phosphoribosylamine
CID 3082052
GlyTouCan:G99974NE
CID 66553114
[(2S,3S,4S,5R)-5-amino-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 162937739
GlyTouCan:G28476AR
CID 56587974
(2S,3R,4S,5R)-2-amino-5-(hydroxymethyl)oxolane-3,4-diol
CID 55291452
Ribosylamine
CID 53750745
Xylofuranosylamine
CID 54373273
[(3R,4R,5R)-2-amino-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
CID 54387993
[[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]phosphonic acid
CID 57263867
beta-D-Arabinofuranosylamine
CID 6455858

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5R)-5-azaniumyl-3,4-dihydroxyoxolan-2-yl]methyl phosphate?
The IUPAC name of [(2R,3S,4R,5R)-5-azaniumyl-3,4-dihydroxyoxolan-2-yl]methyl phosphate (CID 45266724) is [(2R,3S,4R,5R)-5-azaniumyl-3,4-dihydroxyoxolan-2-yl]methyl phosphate.
What is the SMILES notation for [(2R,3S,4R,5R)-5-azaniumyl-3,4-dihydroxyoxolan-2-yl]methyl phosphate?
The canonical SMILES for [(2R,3S,4R,5R)-5-azaniumyl-3,4-dihydroxyoxolan-2-yl]methyl phosphate is [NH3+][C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O.
What is the InChIKey of [(2R,3S,4R,5R)-5-azaniumyl-3,4-dihydroxyoxolan-2-yl]methyl phosphate?
The InChIKey is SKCBPEVYGOQGJN-TXICZTDVSA-M. 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)/p-1/t2-,3-,4-,5-/m1/s1.
What are the key properties of [(2R,3S,4R,5R)-5-azaniumyl-3,4-dihydroxyoxolan-2-yl]methyl phosphate?
[(2R,3S,4R,5R)-5-azaniumyl-3,4-dihydroxyoxolan-2-yl]methyl phosphate has a molecular weight of 228.12 g/mol, XLogP of -4.48, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R,5R)-5-azaniumyl-3,4-dihydroxyoxolan-2-yl]methyl phosphate is sourced from PubChem (CID 45266724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).