cyclohexane-1,2,3,4,5,6-hexol;phosphoric acid

C6H30O30P6 — CID 18946121

IUPACcyclohexane-1,2,3,4,5,6-hexol;phosphoric acid
SMILESO=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.OC1C(O)C(O)C(O)C(O)C1O
InChIInChI=1S/C6H12O6.6H3O4P/c7-1-2(8)4(10)6(12)5(11)3(1)9;6*1-5(2,3)4/h1-12H;6*(H3,1,2,3,4)
InChIKeyRLPYFXNBEDPIQA-UHFFFAOYSA-N
MW768.12 g/mol
LogP-9.41
Rot. Bonds

About cyclohexane-1,2,3,4,5,6-hexol;phosphoric acid

cyclohexane-1,2,3,4,5,6-hexol;phosphoric acid (PubChem CID 18946121) has the molecular formula C6H30O30P6 and a molecular weight of 768.12 g/mol. Its IUPAC name is cyclohexane-1,2,3,4,5,6-hexol;phosphoric acid.

Molecular Properties

Compound Namecyclohexane-1,2,3,4,5,6-hexol;phosphoric acid
PubChem CID18946121
Molecular FormulaC6H30O30P6
Molecular Weight768.12 g/mol
Exact Mass767.92
IUPAC Namecyclohexane-1,2,3,4,5,6-hexol;phosphoric acid
SMILESO=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.OC1C(O)C(O)C(O)C(O)C1O
InChIInChI=1S/C6H12O6.6H3O4P/c7-1-2(8)4(10)6(12)5(11)3(1)9;6*1-5(2,3)4/h1-12H;6*(H3,1,2,3,4)
InChIKeyRLPYFXNBEDPIQA-UHFFFAOYSA-N
XLogP-9.41
TPSA587.94 Ų
H-Bond Donors24
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500768.12
LogP ≤ 5-9.41
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

methane;phosphoric acid
CID 18515646
phosphoric acid;hydrate
CID 22023151
phosphane;phosphoric acid
CID 172840180
CID 159816390
CID 159816390
hydrogen peroxide;phosphoric acid
CID 18509931
methane;phosphoric acid
CID 173400304
iron;phosphoric acid
CID 174838016
CID 173050648
CID 173050648
cerium;phosphoric acid
CID 90659592
phosphane;phosphoric acid
CID 173160232
phosphoric acid;zinc
CID 173400996
phosphoric acid;xenon
CID 159732465

Frequently Asked Questions

What is the IUPAC name of cyclohexane-1,2,3,4,5,6-hexol;phosphoric acid?
The IUPAC name of cyclohexane-1,2,3,4,5,6-hexol;phosphoric acid (CID 18946121) is cyclohexane-1,2,3,4,5,6-hexol;phosphoric acid.
What is the SMILES notation for cyclohexane-1,2,3,4,5,6-hexol;phosphoric acid?
The canonical SMILES for cyclohexane-1,2,3,4,5,6-hexol;phosphoric acid is O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.OC1C(O)C(O)C(O)C(O)C1O.
What is the InChIKey of cyclohexane-1,2,3,4,5,6-hexol;phosphoric acid?
The InChIKey is RLPYFXNBEDPIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O6.6H3O4P/c7-1-2(8)4(10)6(12)5(11)3(1)9;6*1-5(2,3)4/h1-12H;6*(H3,1,2,3,4).
What are the key properties of cyclohexane-1,2,3,4,5,6-hexol;phosphoric acid?
cyclohexane-1,2,3,4,5,6-hexol;phosphoric acid has a molecular weight of 768.12 g/mol, XLogP of -9.41, 0 rotatable bonds, 24 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane-1,2,3,4,5,6-hexol;phosphoric acid is sourced from PubChem (CID 18946121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).