[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexoxy]methylphosphonic acid

C7H17O9P — CID 88598237

IUPAC[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexoxy]methylphosphonic acid
SMILESO=P(O)(O)COC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C7H17O9P/c8-1-4(9)6(11)7(12)5(10)2-16-3-17(13,14)15/h4-12H,1-3H2,(H2,13,14,15)/t4-,5-,6-,7-/m1/s1
InChIKeyVWELRURCQCFTPU-DBRKOABJSA-N
MW276.18 g/mol
LogP-3.43
Rot. Bonds8

About [(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexoxy]methylphosphonic acid

[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexoxy]methylphosphonic acid (PubChem CID 88598237) has the molecular formula C7H17O9P and a molecular weight of 276.18 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexoxy]methylphosphonic acid.

Molecular Properties

Compound Name[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexoxy]methylphosphonic acid
PubChem CID88598237
Molecular FormulaC7H17O9P
Molecular Weight276.18 g/mol
Exact Mass276.06
IUPAC Name[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexoxy]methylphosphonic acid
SMILESO=P(O)(O)COC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C7H17O9P/c8-1-4(9)6(11)7(12)5(10)2-16-3-17(13,14)15/h4-12H,1-3H2,(H2,13,14,15)/t4-,5-,6-,7-/m1/s1
InChIKeyVWELRURCQCFTPU-DBRKOABJSA-N
XLogP-3.43
TPSA167.91 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.18
LogP ≤ 5-3.43
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,3S,4S)-2,3,4,5-tetrahydroxypentyl] [(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl] hydrogen phosphate
CID 91851104
6-(2-hydroxyethoxy)hexane-1,2,3,4,5-pentol
CID 22287921
2-hydroxy-3-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexoxy]propanoic acid
CID 57194035
6-[16-(2,3,4,5,6-pentahydroxyhexoxy)hexadecoxy]hexane-1,2,3,4,5-pentol
CID 550069
barium(2+);[(2S,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl] phosphate
CID 117072657
dicalcium;hydride;[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl] dihydrogen phosphate
CID 173279543
3-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexoxy]propanenitrile
CID 20747913
alumane;(2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol;hydrate
CID 173000212
(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
(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
2,3,4,5,6-pentahydroxyhexanal;(2,3,4,5-tetrahydroxy-6-oxohexyl) dihydrogen phosphate
CID 170312997

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexoxy]methylphosphonic acid?
The IUPAC name of [(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexoxy]methylphosphonic acid (CID 88598237) is [(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexoxy]methylphosphonic acid.
What is the SMILES notation for [(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexoxy]methylphosphonic acid?
The canonical SMILES for [(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexoxy]methylphosphonic acid is O=P(O)(O)COC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of [(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexoxy]methylphosphonic acid?
The InChIKey is VWELRURCQCFTPU-DBRKOABJSA-N. The full InChI is InChI=1S/C7H17O9P/c8-1-4(9)6(11)7(12)5(10)2-16-3-17(13,14)15/h4-12H,1-3H2,(H2,13,14,15)/t4-,5-,6-,7-/m1/s1.
What are the key properties of [(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexoxy]methylphosphonic acid?
[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexoxy]methylphosphonic acid has a molecular weight of 276.18 g/mol, XLogP of -3.43, 8 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexoxy]methylphosphonic acid is sourced from PubChem (CID 88598237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).