(3R)-3-(3-carboxypropanoyloxy)-4-oxo-4-phosphanyloxybutanoic acid

C8H11O8P — CID 130211072

IUPAC(3R)-3-(3-carboxypropanoyloxy)-4-oxo-4-phosphanyloxybutanoic acid
SMILESO=C(O)CCC(=O)O[C@H](CC(=O)O)C(=O)OP
InChIInChI=1S/C8H11O8P/c9-5(10)1-2-7(13)15-4(3-6(11)12)8(14)16-17/h4H,1-3,17H2,(H,9,10)(H,11,12)/t4-/m1/s1
InChIKeyGMTXPPMAUUADHE-SCSAIBSYSA-N
MW266.14 g/mol
LogP-0.43
Rot. Bonds7

About (3R)-3-(3-carboxypropanoyloxy)-4-oxo-4-phosphanyloxybutanoic acid

(3R)-3-(3-carboxypropanoyloxy)-4-oxo-4-phosphanyloxybutanoic acid (PubChem CID 130211072) has the molecular formula C8H11O8P and a molecular weight of 266.14 g/mol. Its IUPAC name is (3R)-3-(3-carboxypropanoyloxy)-4-oxo-4-phosphanyloxybutanoic acid.

Molecular Properties

Compound Name(3R)-3-(3-carboxypropanoyloxy)-4-oxo-4-phosphanyloxybutanoic acid
PubChem CID130211072
Molecular FormulaC8H11O8P
Molecular Weight266.14 g/mol
Exact Mass266.02
IUPAC Name(3R)-3-(3-carboxypropanoyloxy)-4-oxo-4-phosphanyloxybutanoic acid
SMILESO=C(O)CCC(=O)O[C@H](CC(=O)O)C(=O)OP
InChIInChI=1S/C8H11O8P/c9-5(10)1-2-7(13)15-4(3-6(11)12)8(14)16-17/h4H,1-3,17H2,(H,9,10)(H,11,12)/t4-/m1/s1
InChIKeyGMTXPPMAUUADHE-SCSAIBSYSA-N
XLogP-0.43
TPSA127.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-acetyloxy-4-oxo-4-[(2S)-1-oxo-1-phosphanyloxypropan-2-yl]oxybutanoic acid
CID 130211106
[(2R)-3-carboxy-2-(3-carboxypropanoyloxy)propyl]-tri((113C)methyl)azanium
CID 169446575
4-[(2S)-2-(3-carboxypropanoyloxy)propoxy]-4-oxobutanoic acid
CID 118873147
4-(1-chloroethoxy)-4-oxobutanoic acid
CID 89397010
4-(1-butan-2-yloxyethoxy)-4-oxobutanoic acid
CID 21454696
4-(1,2-dihydroxypropoxy)-4-oxobutanoic acid
CID 87640198
trisodium;4-[carboxy(hydroxy)methoxy]-4-oxobutanoic acid;hydride
CID 173363089
4-(2,3-dihydroxypropoxy)-3-hexadecanoyloxy-4-oxobutanoic acid
CID 46927494
4-[4-(3-carboxypropanoyloxy)-3-hydroxy-4-oxobutanoyl]oxy-4-oxobutanoic acid
CID 87732233
4-oxo-3-tetradecanoyloxy-4-tetratriacont-25-enoxybutanoic acid
CID 173398040
bis(butanedioic acid);hydroxylamine
CID 174855273
4-[1-[1-(3-carboxypropanoyloxy)prop-2-enoxy]prop-2-enoxy]-4-oxobutanoic acid
CID 87259055

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-carboxypropanoyloxy)-4-oxo-4-phosphanyloxybutanoic acid?
The IUPAC name of (3R)-3-(3-carboxypropanoyloxy)-4-oxo-4-phosphanyloxybutanoic acid (CID 130211072) is (3R)-3-(3-carboxypropanoyloxy)-4-oxo-4-phosphanyloxybutanoic acid.
What is the SMILES notation for (3R)-3-(3-carboxypropanoyloxy)-4-oxo-4-phosphanyloxybutanoic acid?
The canonical SMILES for (3R)-3-(3-carboxypropanoyloxy)-4-oxo-4-phosphanyloxybutanoic acid is O=C(O)CCC(=O)O[C@H](CC(=O)O)C(=O)OP.
What is the InChIKey of (3R)-3-(3-carboxypropanoyloxy)-4-oxo-4-phosphanyloxybutanoic acid?
The InChIKey is GMTXPPMAUUADHE-SCSAIBSYSA-N. The full InChI is InChI=1S/C8H11O8P/c9-5(10)1-2-7(13)15-4(3-6(11)12)8(14)16-17/h4H,1-3,17H2,(H,9,10)(H,11,12)/t4-/m1/s1.
What are the key properties of (3R)-3-(3-carboxypropanoyloxy)-4-oxo-4-phosphanyloxybutanoic acid?
(3R)-3-(3-carboxypropanoyloxy)-4-oxo-4-phosphanyloxybutanoic acid has a molecular weight of 266.14 g/mol, XLogP of -0.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-carboxypropanoyloxy)-4-oxo-4-phosphanyloxybutanoic acid is sourced from PubChem (CID 130211072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).