2-amino-3-hydroxybutanoic acid;diphenyl hydrogen phosphate

C16H20NO7P — CID 67577660

IUPAC2-amino-3-hydroxybutanoic acid;diphenyl hydrogen phosphate
SMILESCC(O)C(N)C(=O)O.O=P(O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C12H11O4P.C4H9NO3/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;1-2(6)3(5)4(7)8/h1-10H,(H,13,14);2-3,6H,5H2,1H3,(H,7,8)
InChIKeySCJSEXGZHVCYDL-UHFFFAOYSA-N
MW369.31 g/mol
LogP2.02
Rot. Bonds6

About 2-amino-3-hydroxybutanoic acid;diphenyl hydrogen phosphate

2-amino-3-hydroxybutanoic acid;diphenyl hydrogen phosphate (PubChem CID 67577660) has the molecular formula C16H20NO7P and a molecular weight of 369.31 g/mol. Its IUPAC name is 2-amino-3-hydroxybutanoic acid;diphenyl hydrogen phosphate.

Molecular Properties

Compound Name2-amino-3-hydroxybutanoic acid;diphenyl hydrogen phosphate
PubChem CID67577660
Molecular FormulaC16H20NO7P
Molecular Weight369.31 g/mol
Exact Mass369.10
IUPAC Name2-amino-3-hydroxybutanoic acid;diphenyl hydrogen phosphate
SMILESCC(O)C(N)C(=O)O.O=P(O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C12H11O4P.C4H9NO3/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;1-2(6)3(5)4(7)8/h1-10H,(H,13,14);2-3,6H,5H2,1H3,(H,7,8)
InChIKeySCJSEXGZHVCYDL-UHFFFAOYSA-N
XLogP2.02
TPSA139.31 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.31
LogP ≤ 52.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

diphenyl hydrogen phosphate;dihydrate
CID 21115845
tris(diphenyl hydrogen phosphate);phosphane
CID 172751224
diphenyl hydrogen phosphate;silane
CID 175425543
chloroform;diphenyl hydrogen phosphate
CID 174899919
diphenyl hydrogen phosphate;1,3,5-triazine-2,4,6-triamine
CID 67592807
ethyl (2S)-2-[hydroxy(phenoxy)phosphoryl]oxypropanoate
CID 71159094
(2S,3R)-2-amino-3-hydroxybutanoic acid
CID 158974218
diphenyl hydrogen phosphate;N-phenylaniline
CID 172852100
[hydroxy(phenoxy)phosphoryl] acetate
CID 10198286
(2S,3S)-2-amino-3-hydroxybutanoic acid;hydrochloride
CID 122360052
2-amino-3-hydroxybutanoic acid;selane
CID 174980406
dichloromethane;diphenyl hydrogen phosphate;hydrochloride
CID 174445960

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxybutanoic acid;diphenyl hydrogen phosphate?
The IUPAC name of 2-amino-3-hydroxybutanoic acid;diphenyl hydrogen phosphate (CID 67577660) is 2-amino-3-hydroxybutanoic acid;diphenyl hydrogen phosphate.
What is the SMILES notation for 2-amino-3-hydroxybutanoic acid;diphenyl hydrogen phosphate?
The canonical SMILES for 2-amino-3-hydroxybutanoic acid;diphenyl hydrogen phosphate is CC(O)C(N)C(=O)O.O=P(O)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of 2-amino-3-hydroxybutanoic acid;diphenyl hydrogen phosphate?
The InChIKey is SCJSEXGZHVCYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11O4P.C4H9NO3/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;1-2(6)3(5)4(7)8/h1-10H,(H,13,14);2-3,6H,5H2,1H3,(H,7,8).
What are the key properties of 2-amino-3-hydroxybutanoic acid;diphenyl hydrogen phosphate?
2-amino-3-hydroxybutanoic acid;diphenyl hydrogen phosphate has a molecular weight of 369.31 g/mol, XLogP of 2.02, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxybutanoic acid;diphenyl hydrogen phosphate is sourced from PubChem (CID 67577660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).