2,4,6,8,10,12-hexahydroxy-1,7-dioxa-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododecane 2,4,6,8,10,12-hexaoxide

C4H14O14P6 — CID 20591809

IUPAC2,4,6,8,10,12-hexahydroxy-1,7-dioxa-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododecane 2,4,6,8,10,12-hexaoxide
SMILESO=P1(O)CP(=O)(O)OP(=O)(O)CP(=O)(O)CP(=O)(O)OP(=O)(O)C1
InChIInChI=1S/C4H14O14P6/c5-19(6)1-21(9,10)17-23(13,14)3-20(7,8)4-24(15,16)18-22(11,12)2-19/h1-4H2,(H,5,6)(H,7,8)(H,9,10)(H,11,12)(H,13,14)(H,15,16)
InChIKeyAXDVBYLJGBCONJ-UHFFFAOYSA-N
MW471.99 g/mol
LogP1.15
Rot. Bonds

About 2,4,6,8,10,12-hexahydroxy-1,7-dioxa-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododecane 2,4,6,8,10,12-hexaoxide

2,4,6,8,10,12-hexahydroxy-1,7-dioxa-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododecane 2,4,6,8,10,12-hexaoxide (PubChem CID 20591809) has the molecular formula C4H14O14P6 and a molecular weight of 471.99 g/mol. Its IUPAC name is 2,4,6,8,10,12-hexahydroxy-1,7-dioxa-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododecane 2,4,6,8,10,12-hexaoxide.

Molecular Properties

Compound Name2,4,6,8,10,12-hexahydroxy-1,7-dioxa-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododecane 2,4,6,8,10,12-hexaoxide
PubChem CID20591809
Molecular FormulaC4H14O14P6
Molecular Weight471.99 g/mol
Exact Mass471.88
IUPAC Name2,4,6,8,10,12-hexahydroxy-1,7-dioxa-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododecane 2,4,6,8,10,12-hexaoxide
SMILESO=P1(O)CP(=O)(O)OP(=O)(O)CP(=O)(O)CP(=O)(O)OP(=O)(O)C1
InChIInChI=1S/C4H14O14P6/c5-19(6)1-21(9,10)17-23(13,14)3-20(7,8)4-24(15,16)18-22(11,12)2-19/h1-4H2,(H,5,6)(H,7,8)(H,9,10)(H,11,12)(H,13,14)(H,15,16)
InChIKeyAXDVBYLJGBCONJ-UHFFFAOYSA-N
XLogP1.15
TPSA242.26 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.99
LogP ≤ 51.15
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2,4,6,8,10,12-hexahydroxy-1,7-dioxa-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododecane 2,4,6,8,10,12-hexaoxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4,6,8,10,12-hexahydroxy-1,7-dioxa-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododecane 2,4,6,8,10,12-hexaoxide?
The IUPAC name of 2,4,6,8,10,12-hexahydroxy-1,7-dioxa-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododecane 2,4,6,8,10,12-hexaoxide (CID 20591809) is 2,4,6,8,10,12-hexahydroxy-1,7-dioxa-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododecane 2,4,6,8,10,12-hexaoxide.
What is the SMILES notation for 2,4,6,8,10,12-hexahydroxy-1,7-dioxa-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododecane 2,4,6,8,10,12-hexaoxide?
The canonical SMILES for 2,4,6,8,10,12-hexahydroxy-1,7-dioxa-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododecane 2,4,6,8,10,12-hexaoxide is O=P1(O)CP(=O)(O)OP(=O)(O)CP(=O)(O)CP(=O)(O)OP(=O)(O)C1.
What is the InChIKey of 2,4,6,8,10,12-hexahydroxy-1,7-dioxa-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododecane 2,4,6,8,10,12-hexaoxide?
The InChIKey is AXDVBYLJGBCONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H14O14P6/c5-19(6)1-21(9,10)17-23(13,14)3-20(7,8)4-24(15,16)18-22(11,12)2-19/h1-4H2,(H,5,6)(H,7,8)(H,9,10)(H,11,12)(H,13,14)(H,15,16).
What are the key properties of 2,4,6,8,10,12-hexahydroxy-1,7-dioxa-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododecane 2,4,6,8,10,12-hexaoxide?
2,4,6,8,10,12-hexahydroxy-1,7-dioxa-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododecane 2,4,6,8,10,12-hexaoxide has a molecular weight of 471.99 g/mol, XLogP of 1.15, 0 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6,8,10,12-hexahydroxy-1,7-dioxa-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododecane 2,4,6,8,10,12-hexaoxide is sourced from PubChem (CID 20591809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).