azane;(2-hydroxy-3-oxopropyl) dihydrogen phosphate

C3H10NO6P — CID 174943725

IUPACazane;(2-hydroxy-3-oxopropyl) dihydrogen phosphate
SMILESN.O=CC(O)COP(=O)(O)O
InChIInChI=1S/C3H7O6P.H3N/c4-1-3(5)2-9-10(6,7)8;/h1,3,5H,2H2,(H2,6,7,8);1H3
InChIKeyUXIATFGUKSODIS-UHFFFAOYSA-N
MW187.09 g/mol
LogP-1.18
Rot. Bonds4

About azane;(2-hydroxy-3-oxopropyl) dihydrogen phosphate

azane;(2-hydroxy-3-oxopropyl) dihydrogen phosphate (PubChem CID 174943725) has the molecular formula C3H10NO6P and a molecular weight of 187.09 g/mol. Its IUPAC name is azane;(2-hydroxy-3-oxopropyl) dihydrogen phosphate.

Molecular Properties

Compound Nameazane;(2-hydroxy-3-oxopropyl) dihydrogen phosphate
PubChem CID174943725
Molecular FormulaC3H10NO6P
Molecular Weight187.09 g/mol
Exact Mass187.02
IUPAC Nameazane;(2-hydroxy-3-oxopropyl) dihydrogen phosphate
SMILESN.O=CC(O)COP(=O)(O)O
InChIInChI=1S/C3H7O6P.H3N/c4-1-3(5)2-9-10(6,7)8;/h1,3,5H,2H2,(H2,6,7,8);1H3
InChIKeyUXIATFGUKSODIS-UHFFFAOYSA-N
XLogP-1.18
TPSA139.06 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.09
LogP ≤ 5-1.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-hydroxy-3-oxopropyl) dihydrogen phosphate;[(2R,3S,4R)-2,3,4-trihydroxy-5-oxopentyl] dihydrogen phosphate
CID 162052585
[hydroxy-(2-hydroxy-3-oxopropoxy)phosphoryl] phosphono hydrogen phosphate
CID 87287874
[(3S,4R)-3,4-dihydroxy-2-oxo-5-phosphonooxypentyl] (2-hydroxy-3-oxopropyl) hydrogen phosphate
CID 87866153
[(2R,3S)-2-hydroxy-5-oxo-1-phosphonooxypentan-3-yl] (2-hydroxy-3-oxopropyl) hydrogen phosphate
CID 88511173
[(2S,3R)-2,3-dihydroxy-4-oxobutyl] dihydrogen phosphate
CID 46936836
(2,3-dihydroxy-4-oxobutyl) dihydrogen phosphate;phosphoric acid
CID 175031985
[(2R,3R,4R)-2,3,4-trihydroxy-5-oxo(513C)pentyl] dihydrogen phosphate
CID 14029335
[(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] dihydrogen phosphate
CID 87521417
CID 89401296
CID 89401296
[(3S,4R,5R)-5-amino-2,3,4-trihydroxy-6-oxohexyl] dihydrogen phosphate
CID 45109785
[(2R)-2-hydroxy-3-phosphonooxypropyl] formate
CID 25163997
CID 156594754
CID 156594754

Frequently Asked Questions

What is the IUPAC name of azane;(2-hydroxy-3-oxopropyl) dihydrogen phosphate?
The IUPAC name of azane;(2-hydroxy-3-oxopropyl) dihydrogen phosphate (CID 174943725) is azane;(2-hydroxy-3-oxopropyl) dihydrogen phosphate.
What is the SMILES notation for azane;(2-hydroxy-3-oxopropyl) dihydrogen phosphate?
The canonical SMILES for azane;(2-hydroxy-3-oxopropyl) dihydrogen phosphate is N.O=CC(O)COP(=O)(O)O.
What is the InChIKey of azane;(2-hydroxy-3-oxopropyl) dihydrogen phosphate?
The InChIKey is UXIATFGUKSODIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O6P.H3N/c4-1-3(5)2-9-10(6,7)8;/h1,3,5H,2H2,(H2,6,7,8);1H3.
What are the key properties of azane;(2-hydroxy-3-oxopropyl) dihydrogen phosphate?
azane;(2-hydroxy-3-oxopropyl) dihydrogen phosphate has a molecular weight of 187.09 g/mol, XLogP of -1.18, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;(2-hydroxy-3-oxopropyl) dihydrogen phosphate is sourced from PubChem (CID 174943725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).