2,6-dihydroxy-3,5,7a,8,9,10,11,11a-octahydrobenzo[h][1,4,7,2,6]trioxadiphosphonine 2,6-dioxide

C8H16O7P2 — CID 159109458

IUPAC2,6-dihydroxy-3,5,7a,8,9,10,11,11a-octahydrobenzo[h][1,4,7,2,6]trioxadiphosphonine 2,6-dioxide
SMILESO=P1(O)COCP(=O)(O)OC2CCCCC2O1
InChIInChI=1S/C8H16O7P2/c9-16(10)5-13-6-17(11,12)15-8-4-2-1-3-7(8)14-16/h7-8H,1-6H2,(H,9,10)(H,11,12)
InChIKeyVRHLSVZUZPYXDV-UHFFFAOYSA-N
MW286.16 g/mol
LogP1.65
Rot. Bonds

About 2,6-dihydroxy-3,5,7a,8,9,10,11,11a-octahydrobenzo[h][1,4,7,2,6]trioxadiphosphonine 2,6-dioxide

2,6-dihydroxy-3,5,7a,8,9,10,11,11a-octahydrobenzo[h][1,4,7,2,6]trioxadiphosphonine 2,6-dioxide (PubChem CID 159109458) has the molecular formula C8H16O7P2 and a molecular weight of 286.16 g/mol. Its IUPAC name is 2,6-dihydroxy-3,5,7a,8,9,10,11,11a-octahydrobenzo[h][1,4,7,2,6]trioxadiphosphonine 2,6-dioxide.

Molecular Properties

Compound Name2,6-dihydroxy-3,5,7a,8,9,10,11,11a-octahydrobenzo[h][1,4,7,2,6]trioxadiphosphonine 2,6-dioxide
PubChem CID159109458
Molecular FormulaC8H16O7P2
Molecular Weight286.16 g/mol
Exact Mass286.04
IUPAC Name2,6-dihydroxy-3,5,7a,8,9,10,11,11a-octahydrobenzo[h][1,4,7,2,6]trioxadiphosphonine 2,6-dioxide
SMILESO=P1(O)COCP(=O)(O)OC2CCCCC2O1
InChIInChI=1S/C8H16O7P2/c9-16(10)5-13-6-17(11,12)15-8-4-2-1-3-7(8)14-16/h7-8H,1-6H2,(H,9,10)(H,11,12)
InChIKeyVRHLSVZUZPYXDV-UHFFFAOYSA-N
XLogP1.65
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.16
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,6-dihydroxy-3,5,7a,8,9,10,11,11a-octahydrobenzo[h][1,4,7,2,6]trioxadiphosphonine 2,6-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-dihydroxy-3,5,7a,8,9,10,11,11a-octahydrobenzo[h][1,4,7,2,6]trioxadiphosphonine 2,6-dioxide?
The IUPAC name of 2,6-dihydroxy-3,5,7a,8,9,10,11,11a-octahydrobenzo[h][1,4,7,2,6]trioxadiphosphonine 2,6-dioxide (CID 159109458) is 2,6-dihydroxy-3,5,7a,8,9,10,11,11a-octahydrobenzo[h][1,4,7,2,6]trioxadiphosphonine 2,6-dioxide.
What is the SMILES notation for 2,6-dihydroxy-3,5,7a,8,9,10,11,11a-octahydrobenzo[h][1,4,7,2,6]trioxadiphosphonine 2,6-dioxide?
The canonical SMILES for 2,6-dihydroxy-3,5,7a,8,9,10,11,11a-octahydrobenzo[h][1,4,7,2,6]trioxadiphosphonine 2,6-dioxide is O=P1(O)COCP(=O)(O)OC2CCCCC2O1.
What is the InChIKey of 2,6-dihydroxy-3,5,7a,8,9,10,11,11a-octahydrobenzo[h][1,4,7,2,6]trioxadiphosphonine 2,6-dioxide?
The InChIKey is VRHLSVZUZPYXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O7P2/c9-16(10)5-13-6-17(11,12)15-8-4-2-1-3-7(8)14-16/h7-8H,1-6H2,(H,9,10)(H,11,12).
What are the key properties of 2,6-dihydroxy-3,5,7a,8,9,10,11,11a-octahydrobenzo[h][1,4,7,2,6]trioxadiphosphonine 2,6-dioxide?
2,6-dihydroxy-3,5,7a,8,9,10,11,11a-octahydrobenzo[h][1,4,7,2,6]trioxadiphosphonine 2,6-dioxide has a molecular weight of 286.16 g/mol, XLogP of 1.65, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dihydroxy-3,5,7a,8,9,10,11,11a-octahydrobenzo[h][1,4,7,2,6]trioxadiphosphonine 2,6-dioxide is sourced from PubChem (CID 159109458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).