4-phosphanylbutane-1,1,2,3-tetrol

C4H11O4P — CID 19877723

IUPAC4-phosphanylbutane-1,1,2,3-tetrol
SMILESOC(O)C(O)C(O)CP
InChIInChI=1S/C4H11O4P/c5-2(1-9)3(6)4(7)8/h2-8H,1,9H2
InChIKeyNGBRVAOYEVRLHN-UHFFFAOYSA-N
MW154.10 g/mol
LogP-2.11
Rot. Bonds3

About 4-phosphanylbutane-1,1,2,3-tetrol

4-phosphanylbutane-1,1,2,3-tetrol (PubChem CID 19877723) has the molecular formula C4H11O4P and a molecular weight of 154.10 g/mol. Its IUPAC name is 4-phosphanylbutane-1,1,2,3-tetrol.

Molecular Properties

Compound Name4-phosphanylbutane-1,1,2,3-tetrol
PubChem CID19877723
Molecular FormulaC4H11O4P
Molecular Weight154.10 g/mol
Exact Mass154.04
IUPAC Name4-phosphanylbutane-1,1,2,3-tetrol
SMILESOC(O)C(O)C(O)CP
InChIInChI=1S/C4H11O4P/c5-2(1-9)3(6)4(7)8/h2-8H,1,9H2
InChIKeyNGBRVAOYEVRLHN-UHFFFAOYSA-N
XLogP-2.11
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.10
LogP ≤ 5-2.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

3-phosphanylpropane-1,1,2-triol
CID 22913132
butane-1,1,2,3,4,4-hexol
CID 5238182
(2S,3S)-2-amino-3-hydroxy-4-phosphanylbutanoic acid
CID 87416612
hexane-1,1,2,3,4,5,6-heptol
CID 20721397
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;zinc
CID 88619828
(2R,3S,4S)-6-methylheptane-1,1,2,3,4-pentol
CID 59876270
(2R,3R,4R,5R)-1-phosphanylhexane-1,2,3,4,5,6-hexol
CID 140970291
(2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 135394797
(2S,4S)-pentane-1,2,3,4,5-pentol
CID 139064085
(2R,5S)-hexane-1,2,3,4,5,6-hexol
CID 88909362
(2R,3S,4S,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 87912891
pentane-1,2,3,4,5-pentol;dihydrochloride
CID 175842943

Frequently Asked Questions

What is the IUPAC name of 4-phosphanylbutane-1,1,2,3-tetrol?
The IUPAC name of 4-phosphanylbutane-1,1,2,3-tetrol (CID 19877723) is 4-phosphanylbutane-1,1,2,3-tetrol.
What is the SMILES notation for 4-phosphanylbutane-1,1,2,3-tetrol?
The canonical SMILES for 4-phosphanylbutane-1,1,2,3-tetrol is OC(O)C(O)C(O)CP.
What is the InChIKey of 4-phosphanylbutane-1,1,2,3-tetrol?
The InChIKey is NGBRVAOYEVRLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11O4P/c5-2(1-9)3(6)4(7)8/h2-8H,1,9H2.
What are the key properties of 4-phosphanylbutane-1,1,2,3-tetrol?
4-phosphanylbutane-1,1,2,3-tetrol has a molecular weight of 154.10 g/mol, XLogP of -2.11, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phosphanylbutane-1,1,2,3-tetrol is sourced from PubChem (CID 19877723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).