1,1-diphosphorosopropane-1,2,3-triol

C3H6O5P2 — CID 19961049

IUPAC1,1-diphosphorosopropane-1,2,3-triol
SMILESO=PC(O)(P=O)C(O)CO
InChIInChI=1S/C3H6O5P2/c4-1-2(5)3(6,9-7)10-8/h2,4-6H,1H2
InChIKeyPTAWMYNQBHTTPT-UHFFFAOYSA-N
MW184.02 g/mol
LogP-0.43
Rot. Bonds4

About 1,1-diphosphorosopropane-1,2,3-triol

1,1-diphosphorosopropane-1,2,3-triol (PubChem CID 19961049) has the molecular formula C3H6O5P2 and a molecular weight of 184.02 g/mol. Its IUPAC name is 1,1-diphosphorosopropane-1,2,3-triol.

Molecular Properties

Compound Name1,1-diphosphorosopropane-1,2,3-triol
PubChem CID19961049
Molecular FormulaC3H6O5P2
Molecular Weight184.02 g/mol
Exact Mass183.97
IUPAC Name1,1-diphosphorosopropane-1,2,3-triol
SMILESO=PC(O)(P=O)C(O)CO
InChIInChI=1S/C3H6O5P2/c4-1-2(5)3(6,9-7)10-8/h2,4-6H,1H2
InChIKeyPTAWMYNQBHTTPT-UHFFFAOYSA-N
XLogP-0.43
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.02
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1,1-diphosphorosopropane-1,2,3-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3,4,5-tetrahydroxypentanal
CID 142797222
4-(1,2-dihydroxyethyl)heptane-1,2,4,6,7-pentol
CID 162146221
1,1-bis(phosphanyl)propane-1,2,3-triol
CID 87738313
(3R)-3-amino-2,3,4,5-tetrahydroxypentanal
CID 175181996
(4S)-3,3,4,5-tetrahydroxypentan-2-one
CID 102208371
(2R,3R,4R,5R)-3-methylhexane-1,2,3,4,5,6-hexol
CID 54330413
phosphoric acid;(2R,3R)-2,3,4-trihydroxy-2-methylbutanal
CID 159198824
4-methylpentane-1,2,3,3-tetrol
CID 139934593
3,3-bis(hydroxymethyl)butane-1,2,4-triol
CID 87545597
[(2S,3S)-1,2,3,4-tetrahydroxybutan-2-yl]phosphonic acid
CID 174847741
hexane-1,2,3,3,4,5,6-heptol
CID 59979821
(2,3,4-trihydroxy-1-oxobutan-2-yl) acetate
CID 141132329

Frequently Asked Questions

What is the IUPAC name of 1,1-diphosphorosopropane-1,2,3-triol?
The IUPAC name of 1,1-diphosphorosopropane-1,2,3-triol (CID 19961049) is 1,1-diphosphorosopropane-1,2,3-triol.
What is the SMILES notation for 1,1-diphosphorosopropane-1,2,3-triol?
The canonical SMILES for 1,1-diphosphorosopropane-1,2,3-triol is O=PC(O)(P=O)C(O)CO.
What is the InChIKey of 1,1-diphosphorosopropane-1,2,3-triol?
The InChIKey is PTAWMYNQBHTTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O5P2/c4-1-2(5)3(6,9-7)10-8/h2,4-6H,1H2.
What are the key properties of 1,1-diphosphorosopropane-1,2,3-triol?
1,1-diphosphorosopropane-1,2,3-triol has a molecular weight of 184.02 g/mol, XLogP of -0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphosphorosopropane-1,2,3-triol is sourced from PubChem (CID 19961049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).