[3-hydroxy-2,2-bis(hydroxymethyl)propyl] dihydrogen phosphite;phosphorous acid

C5H16O9P2 — CID 88505588

IUPAC[3-hydroxy-2,2-bis(hydroxymethyl)propyl] dihydrogen phosphite;phosphorous acid
SMILESOCC(CO)(CO)COP(O)O.OP(O)O
InChIInChI=1S/C5H13O6P.H3O3P/c6-1-5(2-7,3-8)4-11-12(9)10;1-4(2)3/h6-10H,1-4H2;1-3H
InChIKeyZXYDCSAMGUMOOG-UHFFFAOYSA-N
MW282.12 g/mol
LogP-2.63
Rot. Bonds6

About [3-hydroxy-2,2-bis(hydroxymethyl)propyl] dihydrogen phosphite;phosphorous acid

[3-hydroxy-2,2-bis(hydroxymethyl)propyl] dihydrogen phosphite;phosphorous acid (PubChem CID 88505588) has the molecular formula C5H16O9P2 and a molecular weight of 282.12 g/mol. Its IUPAC name is [3-hydroxy-2,2-bis(hydroxymethyl)propyl] dihydrogen phosphite;phosphorous acid.

Molecular Properties

Compound Name[3-hydroxy-2,2-bis(hydroxymethyl)propyl] dihydrogen phosphite;phosphorous acid
PubChem CID88505588
Molecular FormulaC5H16O9P2
Molecular Weight282.12 g/mol
Exact Mass282.03
IUPAC Name[3-hydroxy-2,2-bis(hydroxymethyl)propyl] dihydrogen phosphite;phosphorous acid
SMILESOCC(CO)(CO)COP(O)O.OP(O)O
InChIInChI=1S/C5H13O6P.H3O3P/c6-1-5(2-7,3-8)4-11-12(9)10;1-4(2)3/h6-10H,1-4H2;1-3H
InChIKeyZXYDCSAMGUMOOG-UHFFFAOYSA-N
XLogP-2.63
TPSA171.07 Ų
H-Bond Donors8
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.12
LogP ≤ 5-2.63
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

[3-hydroxy-2,2-bis(hydroxymethyl)propyl] dihydrogen phosphite;3-oxobutanoic acid
CID 88820823
2-(dichlorophosphanyloxymethyl)-2-(hydroxymethyl)propane-1,3-diol
CID 54567304
2,2-bis(dihydroxyphosphanyloxymethyl)butyl dihydrogen phosphite
CID 21491714
[3-hydroxy-2,2-bis(hydroxymethyl)propyl] dihydrogen phosphite;1H-indole
CID 157139202
bis(2,4-ditert-butylphenol);[3-hydroxy-2,2-bis(hydroxymethyl)propyl] dihydrogen phosphite
CID 159990326
[2-(dihydroxyphosphanyloxymethyl)-2-(hydroxymethyl)-3-(8-methylnonylperoxy)propyl] dihydrogen phosphite
CID 90697743
[2-(dihydroxyphosphanyloxymethyl)-2-(2-ethylhexoxymethyl)-3-hydroxypropyl] dihydrogen phosphite
CID 56632827
bis(2,4-ditert-butylphenol);[2-(dihydroxyphosphanyloxymethyl)-3-hydroxy-2-(hydroxymethyl)propyl] dihydrogen phosphite
CID 87864775
2-[[3-hydroxy-2-[[3-hydroxy-2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
CID 11038293
2,2-bis(hydroxymethyl)propane-1,3-diol;tetradecyl dihydrogen phosphite
CID 175158559
2,2-bis(hydroxymethyl)propane-1,3-diol;dichlorophosphanyl dihydrogen phosphite
CID 158379959
2,2-bis(hydroxymethyl)propane-1,3-diol;dihydroxyphosphanyl dihydrogen phosphite;phosphoric acid
CID 172758771

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-2,2-bis(hydroxymethyl)propyl] dihydrogen phosphite;phosphorous acid?
The IUPAC name of [3-hydroxy-2,2-bis(hydroxymethyl)propyl] dihydrogen phosphite;phosphorous acid (CID 88505588) is [3-hydroxy-2,2-bis(hydroxymethyl)propyl] dihydrogen phosphite;phosphorous acid.
What is the SMILES notation for [3-hydroxy-2,2-bis(hydroxymethyl)propyl] dihydrogen phosphite;phosphorous acid?
The canonical SMILES for [3-hydroxy-2,2-bis(hydroxymethyl)propyl] dihydrogen phosphite;phosphorous acid is OCC(CO)(CO)COP(O)O.OP(O)O.
What is the InChIKey of [3-hydroxy-2,2-bis(hydroxymethyl)propyl] dihydrogen phosphite;phosphorous acid?
The InChIKey is ZXYDCSAMGUMOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13O6P.H3O3P/c6-1-5(2-7,3-8)4-11-12(9)10;1-4(2)3/h6-10H,1-4H2;1-3H.
What are the key properties of [3-hydroxy-2,2-bis(hydroxymethyl)propyl] dihydrogen phosphite;phosphorous acid?
[3-hydroxy-2,2-bis(hydroxymethyl)propyl] dihydrogen phosphite;phosphorous acid has a molecular weight of 282.12 g/mol, XLogP of -2.63, 6 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-2,2-bis(hydroxymethyl)propyl] dihydrogen phosphite;phosphorous acid is sourced from PubChem (CID 88505588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).