2-[(3S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]ethylphosphinous acid

C7H15O6P — CID 167491115

IUPAC2-[(3S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]ethylphosphinous acid
SMILESOPCCC1O[C@H](O)C(O)C(O)[C@@H]1O
InChIInChI=1S/C7H15O6P/c8-4-3(1-2-14-12)13-7(11)6(10)5(4)9/h3-12,14H,1-2H2/t3?,4-,5?,6?,7+/m1/s1
InChIKeyDHIFHDINOFZOEI-PJPGOQRTSA-N
MW226.16 g/mol
LogP-2.24
Rot. Bonds3

About 2-[(3S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]ethylphosphinous acid

2-[(3S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]ethylphosphinous acid (PubChem CID 167491115) has the molecular formula C7H15O6P and a molecular weight of 226.16 g/mol. Its IUPAC name is 2-[(3S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]ethylphosphinous acid.

Molecular Properties

Compound Name2-[(3S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]ethylphosphinous acid
PubChem CID167491115
Molecular FormulaC7H15O6P
Molecular Weight226.16 g/mol
Exact Mass226.06
IUPAC Name2-[(3S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]ethylphosphinous acid
SMILESOPCCC1O[C@H](O)C(O)C(O)[C@@H]1O
InChIInChI=1S/C7H15O6P/c8-4-3(1-2-14-12)13-7(11)6(10)5(4)9/h3-12,14H,1-2H2/t3?,4-,5?,6?,7+/m1/s1
InChIKeyDHIFHDINOFZOEI-PJPGOQRTSA-N
XLogP-2.24
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.16
LogP ≤ 5-2.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S,5S,6R)-6-(2-iodoethyl)oxane-2,3,4,5-tetrol
CID 138718214
(2S,3R,4S,5S,6R)-6-(2-hydroxyethyl)oxane-2,3,4,5-tetrol
CID 90256488
(3R,4R,5S,6S)-6-(2-hydroxyethyl)oxane-2,3,4,5-tetrol
CID 101100889
6-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]oxane-2,3,4,5-tetrol
CID 85179577
(3R,4S,5R)-5-(2-hydroxyethyl)oxolane-2,3,4-triol
CID 11829769
(3R,4R,5R,6S)-6-(aminomethyl)oxane-2,3,4,5-tetrol
CID 71299265
(5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 59445439
(2S,3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 6971007
(3R,4S,5S,6R)-6-((15O)oxidanylmethyl)oxane-2,3,4,5-tetrol
CID 11492034
(2S,3S,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 125309563
(2R,3R,4S,5R,6R)-6-(hydroxy(113C)methyl)oxane-2,3,4,5-tetrol
CID 11344362
(2S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 156615593

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]ethylphosphinous acid?
The IUPAC name of 2-[(3S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]ethylphosphinous acid (CID 167491115) is 2-[(3S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]ethylphosphinous acid.
What is the SMILES notation for 2-[(3S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]ethylphosphinous acid?
The canonical SMILES for 2-[(3S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]ethylphosphinous acid is OPCCC1O[C@H](O)C(O)C(O)[C@@H]1O.
What is the InChIKey of 2-[(3S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]ethylphosphinous acid?
The InChIKey is DHIFHDINOFZOEI-PJPGOQRTSA-N. The full InChI is InChI=1S/C7H15O6P/c8-4-3(1-2-14-12)13-7(11)6(10)5(4)9/h3-12,14H,1-2H2/t3?,4-,5?,6?,7+/m1/s1.
What are the key properties of 2-[(3S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]ethylphosphinous acid?
2-[(3S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]ethylphosphinous acid has a molecular weight of 226.16 g/mol, XLogP of -2.24, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]ethylphosphinous acid is sourced from PubChem (CID 167491115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).