butane-1,2,3,4-tetrol;phosphorous acid

C4H13O7P — CID 139511321

IUPACbutane-1,2,3,4-tetrol;phosphorous acid
SMILESOCC(O)C(O)CO.OP(O)O
InChIInChI=1S/C4H10O4.H3O3P/c5-1-3(7)4(8)2-6;1-4(2)3/h3-8H,1-2H2;1-3H
InChIKeyVIDISCUQUIANPA-UHFFFAOYSA-N
MW204.11 g/mol
LogP-3.12
Rot. Bonds3

About butane-1,2,3,4-tetrol;phosphorous acid

butane-1,2,3,4-tetrol;phosphorous acid (PubChem CID 139511321) has the molecular formula C4H13O7P and a molecular weight of 204.11 g/mol. Its IUPAC name is butane-1,2,3,4-tetrol;phosphorous acid.

Molecular Properties

Compound Namebutane-1,2,3,4-tetrol;phosphorous acid
PubChem CID139511321
Molecular FormulaC4H13O7P
Molecular Weight204.11 g/mol
Exact Mass204.04
IUPAC Namebutane-1,2,3,4-tetrol;phosphorous acid
SMILESOCC(O)C(O)CO.OP(O)O
InChIInChI=1S/C4H10O4.H3O3P/c5-1-3(7)4(8)2-6;1-4(2)3/h3-8H,1-2H2;1-3H
InChIKeyVIDISCUQUIANPA-UHFFFAOYSA-N
XLogP-3.12
TPSA141.61 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500204.11
LogP ≤ 5-3.12
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;phosphorous acid
CID 175778006
(2S,3R)-butane-1,2,3,4-tetrol;propane-1,2,3-triol
CID 87640100
butane;butane-1,2,3,4-tetrol
CID 155273073
(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
(2S,3R)-butane-1,2,3,4-tetrol;sulfuric acid
CID 162332492
(2R,3R)-4-aminobutane-1,2,3-triol
CID 25150845
bis((2R,3R)-butane-1,2,3,4-tetrol);1-sulfanylethanol
CID 161456248
pentane-1,2,3-triol
CID 547785
(2S,3S)-pentane-1,2,3-triol
CID 11636797

Frequently Asked Questions

What is the IUPAC name of butane-1,2,3,4-tetrol;phosphorous acid?
The IUPAC name of butane-1,2,3,4-tetrol;phosphorous acid (CID 139511321) is butane-1,2,3,4-tetrol;phosphorous acid.
What is the SMILES notation for butane-1,2,3,4-tetrol;phosphorous acid?
The canonical SMILES for butane-1,2,3,4-tetrol;phosphorous acid is OCC(O)C(O)CO.OP(O)O.
What is the InChIKey of butane-1,2,3,4-tetrol;phosphorous acid?
The InChIKey is VIDISCUQUIANPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O4.H3O3P/c5-1-3(7)4(8)2-6;1-4(2)3/h3-8H,1-2H2;1-3H.
What are the key properties of butane-1,2,3,4-tetrol;phosphorous acid?
butane-1,2,3,4-tetrol;phosphorous acid has a molecular weight of 204.11 g/mol, XLogP of -3.12, 3 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for butane-1,2,3,4-tetrol;phosphorous acid is sourced from PubChem (CID 139511321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).