3,4,5,6,7-pentahydroxy-1-phosphanyloxyoctan-2-one

C8H17O7P — CID 155647582

IUPAC3,4,5,6,7-pentahydroxy-1-phosphanyloxyoctan-2-one
SMILESCC(O)C(O)C(O)C(O)C(O)C(=O)COP
InChIInChI=1S/C8H17O7P/c1-3(9)5(11)7(13)8(14)6(12)4(10)2-15-16/h3,5-9,11-14H,2,16H2,1H3
InChIKeyOXQVULHSMIQJEA-UHFFFAOYSA-N
MW256.19 g/mol
LogP-2.81
Rot. Bonds7

About 3,4,5,6,7-pentahydroxy-1-phosphanyloxyoctan-2-one

3,4,5,6,7-pentahydroxy-1-phosphanyloxyoctan-2-one (PubChem CID 155647582) has the molecular formula C8H17O7P and a molecular weight of 256.19 g/mol. Its IUPAC name is 3,4,5,6,7-pentahydroxy-1-phosphanyloxyoctan-2-one.

Molecular Properties

Compound Name3,4,5,6,7-pentahydroxy-1-phosphanyloxyoctan-2-one
PubChem CID155647582
Molecular FormulaC8H17O7P
Molecular Weight256.19 g/mol
Exact Mass256.07
IUPAC Name3,4,5,6,7-pentahydroxy-1-phosphanyloxyoctan-2-one
SMILESCC(O)C(O)C(O)C(O)C(O)C(=O)COP
InChIInChI=1S/C8H17O7P/c1-3(9)5(11)7(13)8(14)6(12)4(10)2-15-16/h3,5-9,11-14H,2,16H2,1H3
InChIKeyOXQVULHSMIQJEA-UHFFFAOYSA-N
XLogP-2.81
TPSA127.45 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.19
LogP ≤ 5-2.81
H-Bond Donors ≤ 55
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 3,4,5,6,7-pentahydroxy-1-phosphanyloxyoctan-2-one?
The IUPAC name of 3,4,5,6,7-pentahydroxy-1-phosphanyloxyoctan-2-one (CID 155647582) is 3,4,5,6,7-pentahydroxy-1-phosphanyloxyoctan-2-one.
What is the SMILES notation for 3,4,5,6,7-pentahydroxy-1-phosphanyloxyoctan-2-one?
The canonical SMILES for 3,4,5,6,7-pentahydroxy-1-phosphanyloxyoctan-2-one is CC(O)C(O)C(O)C(O)C(O)C(=O)COP.
What is the InChIKey of 3,4,5,6,7-pentahydroxy-1-phosphanyloxyoctan-2-one?
The InChIKey is OXQVULHSMIQJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O7P/c1-3(9)5(11)7(13)8(14)6(12)4(10)2-15-16/h3,5-9,11-14H,2,16H2,1H3.
What are the key properties of 3,4,5,6,7-pentahydroxy-1-phosphanyloxyoctan-2-one?
3,4,5,6,7-pentahydroxy-1-phosphanyloxyoctan-2-one has a molecular weight of 256.19 g/mol, XLogP of -2.81, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6,7-pentahydroxy-1-phosphanyloxyoctan-2-one is sourced from PubChem (CID 155647582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).