[3,3-dihydroxypropoxy(hydroxy)phosphoryl]formic acid

C4H9O7P — CID 54394591

IUPAC[3,3-dihydroxypropoxy(hydroxy)phosphoryl]formic acid
SMILESO=C(O)P(=O)(O)OCCC(O)O
InChIInChI=1S/C4H9O7P/c5-3(6)1-2-11-12(9,10)4(7)8/h3,5-6H,1-2H2,(H,7,8)(H,9,10)
InChIKeyVJASVDYRRQUYTH-UHFFFAOYSA-N
MW200.08 g/mol
LogP-0.43
Rot. Bonds5

About [3,3-dihydroxypropoxy(hydroxy)phosphoryl]formic acid

[3,3-dihydroxypropoxy(hydroxy)phosphoryl]formic acid (PubChem CID 54394591) has the molecular formula C4H9O7P and a molecular weight of 200.08 g/mol. Its IUPAC name is [3,3-dihydroxypropoxy(hydroxy)phosphoryl]formic acid.

Molecular Properties

Compound Name[3,3-dihydroxypropoxy(hydroxy)phosphoryl]formic acid
PubChem CID54394591
Molecular FormulaC4H9O7P
Molecular Weight200.08 g/mol
Exact Mass200.01
IUPAC Name[3,3-dihydroxypropoxy(hydroxy)phosphoryl]formic acid
SMILESO=C(O)P(=O)(O)OCCC(O)O
InChIInChI=1S/C4H9O7P/c5-3(6)1-2-11-12(9,10)4(7)8/h3,5-6H,1-2H2,(H,7,8)(H,9,10)
InChIKeyVJASVDYRRQUYTH-UHFFFAOYSA-N
XLogP-0.43
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.08
LogP ≤ 5-0.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

sodium;3,3-dihydroxypropyl dihydrogen phosphate;hydride
CID 174223594
3,3-dihydroxypropyl ethyl hydrogen phosphate
CID 174883301
3,3-dihydroxypropyl hydrogen carbonate
CID 123387402
[(3S,4R)-3,4,5-trihydroxypentyl] dihydrogen phosphate
CID 101416301
4,4-dihydroxybutyl phenyl hydrogen phosphate
CID 175686334
azanium 3-methylbutyl dihydrogen phosphate
CID 21149534
butane-1,1-diol;2-methylprop-2-enoic acid;phosphoric acid
CID 174683889
3-(2-hydroxyethyl)-2-methylidene-5-phosphonooxypentanoic acid
CID 87186844
(2S)-2-amino-4-hydroxybutanoic acid;(2S)-2-amino-4-phosphonooxybutanoic acid;methane
CID 164952984
butyl 3-hydroxybutyl hydrogen phosphate
CID 71322607
bis(4,4-dihydroxybutyl) oxalate
CID 141373541
(1-hydroxy-3-phosphonooxypropyl) but-2-enoate
CID 174051460

Frequently Asked Questions

What is the IUPAC name of [3,3-dihydroxypropoxy(hydroxy)phosphoryl]formic acid?
The IUPAC name of [3,3-dihydroxypropoxy(hydroxy)phosphoryl]formic acid (CID 54394591) is [3,3-dihydroxypropoxy(hydroxy)phosphoryl]formic acid.
What is the SMILES notation for [3,3-dihydroxypropoxy(hydroxy)phosphoryl]formic acid?
The canonical SMILES for [3,3-dihydroxypropoxy(hydroxy)phosphoryl]formic acid is O=C(O)P(=O)(O)OCCC(O)O.
What is the InChIKey of [3,3-dihydroxypropoxy(hydroxy)phosphoryl]formic acid?
The InChIKey is VJASVDYRRQUYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O7P/c5-3(6)1-2-11-12(9,10)4(7)8/h3,5-6H,1-2H2,(H,7,8)(H,9,10).
What are the key properties of [3,3-dihydroxypropoxy(hydroxy)phosphoryl]formic acid?
[3,3-dihydroxypropoxy(hydroxy)phosphoryl]formic acid has a molecular weight of 200.08 g/mol, XLogP of -0.43, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-dihydroxypropoxy(hydroxy)phosphoryl]formic acid is sourced from PubChem (CID 54394591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).