(2-amino-4-hydroxy-5-oxohept-6-enyl) dihydrogen phosphate

C7H14NO6P — CID 174471720

IUPAC(2-amino-4-hydroxy-5-oxohept-6-enyl) dihydrogen phosphate
SMILESC=CC(=O)C(O)CC(N)COP(=O)(O)O
InChIInChI=1S/C7H14NO6P/c1-2-6(9)7(10)3-5(8)4-14-15(11,12)13/h2,5,7,10H,1,3-4,8H2,(H2,11,12,13)
InChIKeyOLNWUORJOOYUFE-UHFFFAOYSA-N
MW239.16 g/mol
LogP-1.07
Rot. Bonds7

About (2-amino-4-hydroxy-5-oxohept-6-enyl) dihydrogen phosphate

(2-amino-4-hydroxy-5-oxohept-6-enyl) dihydrogen phosphate (PubChem CID 174471720) has the molecular formula C7H14NO6P and a molecular weight of 239.16 g/mol. Its IUPAC name is (2-amino-4-hydroxy-5-oxohept-6-enyl) dihydrogen phosphate.

Molecular Properties

Compound Name(2-amino-4-hydroxy-5-oxohept-6-enyl) dihydrogen phosphate
PubChem CID174471720
Molecular FormulaC7H14NO6P
Molecular Weight239.16 g/mol
Exact Mass239.06
IUPAC Name(2-amino-4-hydroxy-5-oxohept-6-enyl) dihydrogen phosphate
SMILESC=CC(=O)C(O)CC(N)COP(=O)(O)O
InChIInChI=1S/C7H14NO6P/c1-2-6(9)7(10)3-5(8)4-14-15(11,12)13/h2,5,7,10H,1,3-4,8H2,(H2,11,12,13)
InChIKeyOLNWUORJOOYUFE-UHFFFAOYSA-N
XLogP-1.07
TPSA130.08 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.16
LogP ≤ 5-1.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(2-amino-3-fluoropropyl) dihydrogen phosphate
CID 19927082
3-hydroxy-2-oxo-4-phosphonooxybutanoic acid
CID 113
(2-chloro-3-phosphonooxypropyl) prop-2-enoate
CID 150375060
2-ethenylbut-3-enyl dihydrogen phosphate
CID 90185562
arsanyl 2-hydroxy-3-phosphonooxypropanoate
CID 173000316
2-oxoethyl 2-hydroxy-3-phosphonooxypropanoate
CID 123508037
2,3-dihydroxypropyl dihydrogen phosphate;3-prop-2-enoyloxypropyl prop-2-enoate
CID 174926812
2-amino-3-hydroxy-4-phosphonooxybutanoic acid
CID 1007
[(2S)-2-aminopropyl] dihydrogen phosphate
CID 87075669
[(2R)-2-aminopropyl] dihydrogen phosphate
CID 91096185
2-amino-3-hydroxy-4-phosphonooxybutanoate
CID 1006
2-aminooct-4-enyl dihydrogen phosphate
CID 123623824

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-hydroxy-5-oxohept-6-enyl) dihydrogen phosphate?
The IUPAC name of (2-amino-4-hydroxy-5-oxohept-6-enyl) dihydrogen phosphate (CID 174471720) is (2-amino-4-hydroxy-5-oxohept-6-enyl) dihydrogen phosphate.
What is the SMILES notation for (2-amino-4-hydroxy-5-oxohept-6-enyl) dihydrogen phosphate?
The canonical SMILES for (2-amino-4-hydroxy-5-oxohept-6-enyl) dihydrogen phosphate is C=CC(=O)C(O)CC(N)COP(=O)(O)O.
What is the InChIKey of (2-amino-4-hydroxy-5-oxohept-6-enyl) dihydrogen phosphate?
The InChIKey is OLNWUORJOOYUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14NO6P/c1-2-6(9)7(10)3-5(8)4-14-15(11,12)13/h2,5,7,10H,1,3-4,8H2,(H2,11,12,13).
What are the key properties of (2-amino-4-hydroxy-5-oxohept-6-enyl) dihydrogen phosphate?
(2-amino-4-hydroxy-5-oxohept-6-enyl) dihydrogen phosphate has a molecular weight of 239.16 g/mol, XLogP of -1.07, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-hydroxy-5-oxohept-6-enyl) dihydrogen phosphate is sourced from PubChem (CID 174471720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).