1,1-bis(phosphanyl)propane-1,2,3-triol

C3H10O3P2 — CID 87738313

IUPAC1,1-bis(phosphanyl)propane-1,2,3-triol
SMILESOCC(O)C(O)(P)P
InChIInChI=1S/C3H10O3P2/c4-1-2(5)3(6,7)8/h2,4-6H,1,7-8H2
InChIKeyIQHWVAKANMYFAN-UHFFFAOYSA-N
MW156.06 g/mol
LogP-1.26
Rot. Bonds2

About 1,1-bis(phosphanyl)propane-1,2,3-triol

1,1-bis(phosphanyl)propane-1,2,3-triol (PubChem CID 87738313) has the molecular formula C3H10O3P2 and a molecular weight of 156.06 g/mol. Its IUPAC name is 1,1-bis(phosphanyl)propane-1,2,3-triol.

Molecular Properties

Compound Name1,1-bis(phosphanyl)propane-1,2,3-triol
PubChem CID87738313
Molecular FormulaC3H10O3P2
Molecular Weight156.06 g/mol
Exact Mass156.01
IUPAC Name1,1-bis(phosphanyl)propane-1,2,3-triol
SMILESOCC(O)C(O)(P)P
InChIInChI=1S/C3H10O3P2/c4-1-2(5)3(6,7)8/h2,4-6H,1,7-8H2
InChIKeyIQHWVAKANMYFAN-UHFFFAOYSA-N
XLogP-1.26
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.06
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methylpentane-1,2,3,3-tetrol
CID 139934593
3,3-bis(hydroxymethyl)butane-1,2,4-triol
CID 87545597
1,1-diphosphorosopropane-1,2,3-triol
CID 19961049
hexane-1,2,3,3,4,5,6-heptol
CID 59979821
4-(1,2-dihydroxyethyl)heptane-1,2,4,6,7-pentol
CID 162146221
(4S)-3,3,4,5-tetrahydroxypentan-2-one
CID 102208371
(2S,3R)-2-(deuteriomethyl)butane-1,2,3,4-tetrol
CID 87921477
(2R,3R,4R,5R)-3-methylhexane-1,2,3,4,5,6-hexol
CID 54330413
3,3,4,5-tetrahydroxypentanal
CID 142797222
(2R,3R)-3,7-dimethyloct-6-ene-1,2,3-triol
CID 10976249
[(2S,3S)-1,2,3,4-tetrahydroxybutan-2-yl]phosphonic acid
CID 174847741
(3R)-3-amino-2,3,4,5-tetrahydroxypentanal
CID 175181996

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(phosphanyl)propane-1,2,3-triol?
The IUPAC name of 1,1-bis(phosphanyl)propane-1,2,3-triol (CID 87738313) is 1,1-bis(phosphanyl)propane-1,2,3-triol.
What is the SMILES notation for 1,1-bis(phosphanyl)propane-1,2,3-triol?
The canonical SMILES for 1,1-bis(phosphanyl)propane-1,2,3-triol is OCC(O)C(O)(P)P.
What is the InChIKey of 1,1-bis(phosphanyl)propane-1,2,3-triol?
The InChIKey is IQHWVAKANMYFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10O3P2/c4-1-2(5)3(6,7)8/h2,4-6H,1,7-8H2.
What are the key properties of 1,1-bis(phosphanyl)propane-1,2,3-triol?
1,1-bis(phosphanyl)propane-1,2,3-triol has a molecular weight of 156.06 g/mol, XLogP of -1.26, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(phosphanyl)propane-1,2,3-triol is sourced from PubChem (CID 87738313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).