2,4,6,8,10,12-hexahydroxy-1,3,5,7,9,11-hexaoxa-2lambda5,4lambda5,6lambda5,8lambda5,10lambda5,12lambda5-hexaphosphacyclododecane 2,4,6,8,10,12-hexaoxide

H6O18P6 — CID 24969

IUPAC2,4,6,8,10,12-hexahydroxy-1,3,5,7,9,11-hexaoxa-2lambda5,4lambda5,6lambda5,8lambda5,10lambda5,12lambda5-hexaphosphacyclododecane 2,4,6,8,10,12-hexaoxide
SMILESO=P1(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O1
InChIInChI=1S/H6O18P6/c1-19(2)13-20(3,4)15-22(7,8)17-24(11,12)18-23(9,10)16-21(5,6)14-19/h(H,1,2)(H,3,4)(H,5,6)(H,7,8)(H,9,10)(H,11,12)
InChIKeySZGVJLCXTSBVKL-UHFFFAOYSA-N
MW479.87 g/mol
LogP0.70
Rot. Bonds

About 2,4,6,8,10,12-hexahydroxy-1,3,5,7,9,11-hexaoxa-2lambda5,4lambda5,6lambda5,8lambda5,10lambda5,12lambda5-hexaphosphacyclododecane 2,4,6,8,10,12-hexaoxide

2,4,6,8,10,12-hexahydroxy-1,3,5,7,9,11-hexaoxa-2lambda5,4lambda5,6lambda5,8lambda5,10lambda5,12lambda5-hexaphosphacyclododecane 2,4,6,8,10,12-hexaoxide (PubChem CID 24969) has the molecular formula H6O18P6 and a molecular weight of 479.87 g/mol. Its IUPAC name is 2,4,6,8,10,12-hexahydroxy-1,3,5,7,9,11-hexaoxa-2lambda5,4lambda5,6lambda5,8lambda5,10lambda5,12lambda5-hexaphosphacyclododecane 2,4,6,8,10,12-hexaoxide.

Molecular Properties

Compound Name2,4,6,8,10,12-hexahydroxy-1,3,5,7,9,11-hexaoxa-2lambda5,4lambda5,6lambda5,8lambda5,10lambda5,12lambda5-hexaphosphacyclododecane 2,4,6,8,10,12-hexaoxide
PubChem CID24969
Molecular FormulaH6O18P6
Molecular Weight479.87 g/mol
Exact Mass479.80
IUPAC Name2,4,6,8,10,12-hexahydroxy-1,3,5,7,9,11-hexaoxa-2lambda5,4lambda5,6lambda5,8lambda5,10lambda5,12lambda5-hexaphosphacyclododecane 2,4,6,8,10,12-hexaoxide
SMILESO=P1(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O1
InChIInChI=1S/H6O18P6/c1-19(2)13-20(3,4)15-22(7,8)17-24(11,12)18-23(9,10)16-21(5,6)14-19/h(H,1,2)(H,3,4)(H,5,6)(H,7,8)(H,9,10)(H,11,12)
InChIKeySZGVJLCXTSBVKL-UHFFFAOYSA-N
XLogP0.70
TPSA279.18 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500479.87
LogP ≤ 50.70
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2,4,6,8,10,12-hexahydroxy-1,3,5,7,9,11-hexaoxa-2lambda5,4lambda5,6lambda5,8lambda5,10lambda5,12lambda5-hexaphosphacyclododecane 2,4,6,8,10,12-hexaoxide with MolForge

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Related Compounds

Triphosphoric acid
CID 983
Vanadium hydroxide oxide phosphate
CID 6455080
Tetraphosphoric acid
CID 197147
Hexametaphosphate
CID 115276
Triphosphate(1-)
CID 23657868
Pentadecaphosphate
CID 16727528
Hexaphosphoric acid
CID 9892081
Heptaphosphoric acid
CID 10283750
Pentaphosphoric acid
CID 17904559
Phosphinic acid, barium salt (2:1)
CID 138395927
pentaphosphoric acid, sodium salt
CID 44144990
Phosphate, dihydrogen, phosphate (1:1)
CID 5289183

Frequently Asked Questions

What is the IUPAC name of 2,4,6,8,10,12-hexahydroxy-1,3,5,7,9,11-hexaoxa-2lambda5,4lambda5,6lambda5,8lambda5,10lambda5,12lambda5-hexaphosphacyclododecane 2,4,6,8,10,12-hexaoxide?
The IUPAC name of 2,4,6,8,10,12-hexahydroxy-1,3,5,7,9,11-hexaoxa-2lambda5,4lambda5,6lambda5,8lambda5,10lambda5,12lambda5-hexaphosphacyclododecane 2,4,6,8,10,12-hexaoxide (CID 24969) is 2,4,6,8,10,12-hexahydroxy-1,3,5,7,9,11-hexaoxa-2lambda5,4lambda5,6lambda5,8lambda5,10lambda5,12lambda5-hexaphosphacyclododecane 2,4,6,8,10,12-hexaoxide.
What is the SMILES notation for 2,4,6,8,10,12-hexahydroxy-1,3,5,7,9,11-hexaoxa-2lambda5,4lambda5,6lambda5,8lambda5,10lambda5,12lambda5-hexaphosphacyclododecane 2,4,6,8,10,12-hexaoxide?
The canonical SMILES for 2,4,6,8,10,12-hexahydroxy-1,3,5,7,9,11-hexaoxa-2lambda5,4lambda5,6lambda5,8lambda5,10lambda5,12lambda5-hexaphosphacyclododecane 2,4,6,8,10,12-hexaoxide is O=P1(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O1.
What is the InChIKey of 2,4,6,8,10,12-hexahydroxy-1,3,5,7,9,11-hexaoxa-2lambda5,4lambda5,6lambda5,8lambda5,10lambda5,12lambda5-hexaphosphacyclododecane 2,4,6,8,10,12-hexaoxide?
The InChIKey is SZGVJLCXTSBVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/H6O18P6/c1-19(2)13-20(3,4)15-22(7,8)17-24(11,12)18-23(9,10)16-21(5,6)14-19/h(H,1,2)(H,3,4)(H,5,6)(H,7,8)(H,9,10)(H,11,12).
What are the key properties of 2,4,6,8,10,12-hexahydroxy-1,3,5,7,9,11-hexaoxa-2lambda5,4lambda5,6lambda5,8lambda5,10lambda5,12lambda5-hexaphosphacyclododecane 2,4,6,8,10,12-hexaoxide?
2,4,6,8,10,12-hexahydroxy-1,3,5,7,9,11-hexaoxa-2lambda5,4lambda5,6lambda5,8lambda5,10lambda5,12lambda5-hexaphosphacyclododecane 2,4,6,8,10,12-hexaoxide has a molecular weight of 479.87 g/mol, XLogP of 0.70, 0 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6,8,10,12-hexahydroxy-1,3,5,7,9,11-hexaoxa-2lambda5,4lambda5,6lambda5,8lambda5,10lambda5,12lambda5-hexaphosphacyclododecane 2,4,6,8,10,12-hexaoxide is sourced from PubChem (CID 24969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).