[(2R)-2-hydroxy-2-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]ethyl]phosphonic acid

C8H17O9P — CID 10782771

IUPAC[(2R)-2-hydroxy-2-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]ethyl]phosphonic acid
SMILESCO[C@H]1O[C@H]([C@@H](O)CP(=O)(O)O)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C8H17O9P/c1-16-8-6(12)4(10)5(11)7(17-8)3(9)2-18(13,14)15/h3-12H,2H2,1H3,(H2,13,14,15)/t3-,4-,5-,6-,7+,8-/m0/s1
InChIKeyVTGMELVESKBFTB-IHKZFYOVSA-N
MW288.19 g/mol
LogP-3.02
Rot. Bonds4

About [(2R)-2-hydroxy-2-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]ethyl]phosphonic acid

[(2R)-2-hydroxy-2-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]ethyl]phosphonic acid (PubChem CID 10782771) has the molecular formula C8H17O9P and a molecular weight of 288.19 g/mol. Its IUPAC name is [(2R)-2-hydroxy-2-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]ethyl]phosphonic acid.

Molecular Properties

Compound Name[(2R)-2-hydroxy-2-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]ethyl]phosphonic acid
PubChem CID10782771
Molecular FormulaC8H17O9P
Molecular Weight288.19 g/mol
Exact Mass288.06
IUPAC Name[(2R)-2-hydroxy-2-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]ethyl]phosphonic acid
SMILESCO[C@H]1O[C@H]([C@@H](O)CP(=O)(O)O)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C8H17O9P/c1-16-8-6(12)4(10)5(11)7(17-8)3(9)2-18(13,14)15/h3-12H,2H2,1H3,(H2,13,14,15)/t3-,4-,5-,6-,7+,8-/m0/s1
InChIKeyVTGMELVESKBFTB-IHKZFYOVSA-N
XLogP-3.02
TPSA156.91 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.19
LogP ≤ 5-3.02
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-hydroxy-2-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]ethyl]phosphonic acid?
The IUPAC name of [(2R)-2-hydroxy-2-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]ethyl]phosphonic acid (CID 10782771) is [(2R)-2-hydroxy-2-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]ethyl]phosphonic acid.
What is the SMILES notation for [(2R)-2-hydroxy-2-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]ethyl]phosphonic acid?
The canonical SMILES for [(2R)-2-hydroxy-2-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]ethyl]phosphonic acid is CO[C@H]1O[C@H]([C@@H](O)CP(=O)(O)O)[C@@H](O)[C@H](O)[C@@H]1O.
What is the InChIKey of [(2R)-2-hydroxy-2-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]ethyl]phosphonic acid?
The InChIKey is VTGMELVESKBFTB-IHKZFYOVSA-N. The full InChI is InChI=1S/C8H17O9P/c1-16-8-6(12)4(10)5(11)7(17-8)3(9)2-18(13,14)15/h3-12H,2H2,1H3,(H2,13,14,15)/t3-,4-,5-,6-,7+,8-/m0/s1.
What are the key properties of [(2R)-2-hydroxy-2-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]ethyl]phosphonic acid?
[(2R)-2-hydroxy-2-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]ethyl]phosphonic acid has a molecular weight of 288.19 g/mol, XLogP of -3.02, 4 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-hydroxy-2-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]ethyl]phosphonic acid is sourced from PubChem (CID 10782771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).