[(2R,3R)-3-amino-2,4-dihydroxybutyl] dihydrogen phosphate

C4H12NO6P — CID 89155758

IUPAC[(2R,3R)-3-amino-2,4-dihydroxybutyl] dihydrogen phosphate
SMILESN[C@H](CO)[C@@H](O)COP(=O)(O)O
InChIInChI=1S/C4H12NO6P/c5-3(1-6)4(7)2-11-12(8,9)10/h3-4,6-7H,1-2,5H2,(H2,8,9,10)/t3-,4+/m1/s1
InChIKeyCZPDOVXBNDZJTA-DMTCNVIQSA-N
MW201.11 g/mol
LogP-2.22
Rot. Bonds5

About [(2R,3R)-3-amino-2,4-dihydroxybutyl] dihydrogen phosphate

[(2R,3R)-3-amino-2,4-dihydroxybutyl] dihydrogen phosphate (PubChem CID 89155758) has the molecular formula C4H12NO6P and a molecular weight of 201.11 g/mol. Its IUPAC name is [(2R,3R)-3-amino-2,4-dihydroxybutyl] dihydrogen phosphate.

Molecular Properties

Compound Name[(2R,3R)-3-amino-2,4-dihydroxybutyl] dihydrogen phosphate
PubChem CID89155758
Molecular FormulaC4H12NO6P
Molecular Weight201.11 g/mol
Exact Mass201.04
IUPAC Name[(2R,3R)-3-amino-2,4-dihydroxybutyl] dihydrogen phosphate
SMILESN[C@H](CO)[C@@H](O)COP(=O)(O)O
InChIInChI=1S/C4H12NO6P/c5-3(1-6)4(7)2-11-12(8,9)10/h3-4,6-7H,1-2,5H2,(H2,8,9,10)/t3-,4+/m1/s1
InChIKeyCZPDOVXBNDZJTA-DMTCNVIQSA-N
XLogP-2.22
TPSA133.24 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.11
LogP ≤ 5-2.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3R,4S,5R)-2-amino-3,4,5-trihydroxy-6-phosphonooxyhexyl] dihydrogen phosphate
CID 156618029
2-amino-3-hydroxy-4-phosphonooxybutanoic acid
CID 1007
dicalcium;hydride;[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl] dihydrogen phosphate
CID 173279543
2-amino-3-hydroxy-4-phosphonooxybutanoate
CID 1006
2,3-dihydroxypropyl dihydrogen phosphate;hydrate
CID 88718153
2,3-dihydroxypropyl dihydrogen phosphate;zinc
CID 88760413
(6-amino-2,3,4,5-tetrahydroxyhexyl) dihydrogen phosphate
CID 175109402
[(3S,4R,5R)-5-amino-2,3,4-trihydroxy-6-oxohexyl] dihydrogen phosphate
CID 45109785
trimagnesium;2,3-dihydroxypropyl dihydrogen phosphate;hydride
CID 174390583
[(2R,3S)-2,3-dihydroxy-4-methoxybutyl] dihydrogen phosphate
CID 54421134
[3,3-dihydroxy-2-(hydroxymethyl)propyl] dihydrogen phosphate
CID 141011035
(2S)-2-amino-3-phosphonooxypropanoic acid;propane-1,2,3-triol
CID 160724089

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-3-amino-2,4-dihydroxybutyl] dihydrogen phosphate?
The IUPAC name of [(2R,3R)-3-amino-2,4-dihydroxybutyl] dihydrogen phosphate (CID 89155758) is [(2R,3R)-3-amino-2,4-dihydroxybutyl] dihydrogen phosphate.
What is the SMILES notation for [(2R,3R)-3-amino-2,4-dihydroxybutyl] dihydrogen phosphate?
The canonical SMILES for [(2R,3R)-3-amino-2,4-dihydroxybutyl] dihydrogen phosphate is N[C@H](CO)[C@@H](O)COP(=O)(O)O.
What is the InChIKey of [(2R,3R)-3-amino-2,4-dihydroxybutyl] dihydrogen phosphate?
The InChIKey is CZPDOVXBNDZJTA-DMTCNVIQSA-N. The full InChI is InChI=1S/C4H12NO6P/c5-3(1-6)4(7)2-11-12(8,9)10/h3-4,6-7H,1-2,5H2,(H2,8,9,10)/t3-,4+/m1/s1.
What are the key properties of [(2R,3R)-3-amino-2,4-dihydroxybutyl] dihydrogen phosphate?
[(2R,3R)-3-amino-2,4-dihydroxybutyl] dihydrogen phosphate has a molecular weight of 201.11 g/mol, XLogP of -2.22, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-3-amino-2,4-dihydroxybutyl] dihydrogen phosphate is sourced from PubChem (CID 89155758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).