2-phosphatricyclo[3.3.1.13,7]decane-4,6,8-triol

C9H15O3P — CID 91214490

IUPAC2-phosphatricyclo[3.3.1.13,7]decane-4,6,8-triol
SMILESOC1C2CC3C(O)C(CC1C3O)P2
InChIInChI=1S/C9H15O3P/c10-7-3-1-5-9(12)4(7)2-6(13-5)8(3)11/h3-13H,1-2H2
InChIKeyWWVAYSPGJCMQBV-UHFFFAOYSA-N
MW202.19 g/mol
LogP-0.46
Rot. Bonds

About 2-phosphatricyclo[3.3.1.13,7]decane-4,6,8-triol

2-phosphatricyclo[3.3.1.13,7]decane-4,6,8-triol (PubChem CID 91214490) has the molecular formula C9H15O3P and a molecular weight of 202.19 g/mol. Its IUPAC name is 2-phosphatricyclo[3.3.1.13,7]decane-4,6,8-triol.

Molecular Properties

Compound Name2-phosphatricyclo[3.3.1.13,7]decane-4,6,8-triol
PubChem CID91214490
Molecular FormulaC9H15O3P
Molecular Weight202.19 g/mol
Exact Mass202.08
IUPAC Name2-phosphatricyclo[3.3.1.13,7]decane-4,6,8-triol
SMILESOC1C2CC3C(O)C(CC1C3O)P2
InChIInChI=1S/C9H15O3P/c10-7-3-1-5-9(12)4(7)2-6(13-5)8(3)11/h3-13H,1-2H2
InChIKeyWWVAYSPGJCMQBV-UHFFFAOYSA-N
XLogP-0.46
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-phosphatricyclo[3.3.1.13,7]decane-4,6,8-triol with MolForge

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

Launch Full Analysis

Related Compounds

bicyclo[2.2.1]heptane-2,5,7-triol
CID 22290058
pentacyclo[5.4.1.03,10.05,9.08,11]dodecane-2,6-diol
CID 13108252
(2S,3R,5R,6S)-tricyclo[2.2.1.02,6]heptane-3,5-diol
CID 124541002
(1S,4R)-bicyclo[2.1.0]pentane-2,3-diol
CID 101126936
4-hydroxybicyclo[1.1.1]pentane-2-carboxylic acid
CID 171036181
(1S,2S,4R,5R)-cyclohexane-1,2,3,4,5-pentol
CID 10964847
(1S,3R)-bicyclo[2.2.1]heptane-2,3,7-triol
CID 169042075
trans-(1R,3R)-cyclohexane-1,2,3,5-tetrol
CID 45102944
4-thiatricyclo[5.2.1.02,6]decane-8,9-diol
CID 130143517
6-methylbicyclo[3.1.0]hexane-2,3-diol
CID 162735404
trans-(1R,2R)-cyclopropane-1,2-diol
CID 59075452
3-(2-hydroxycyclopentyl)cyclobutane-1,2-diol
CID 67220416

Frequently Asked Questions

What is the IUPAC name of 2-phosphatricyclo[3.3.1.13,7]decane-4,6,8-triol?
The IUPAC name of 2-phosphatricyclo[3.3.1.13,7]decane-4,6,8-triol (CID 91214490) is 2-phosphatricyclo[3.3.1.13,7]decane-4,6,8-triol.
What is the SMILES notation for 2-phosphatricyclo[3.3.1.13,7]decane-4,6,8-triol?
The canonical SMILES for 2-phosphatricyclo[3.3.1.13,7]decane-4,6,8-triol is OC1C2CC3C(O)C(CC1C3O)P2.
What is the InChIKey of 2-phosphatricyclo[3.3.1.13,7]decane-4,6,8-triol?
The InChIKey is WWVAYSPGJCMQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15O3P/c10-7-3-1-5-9(12)4(7)2-6(13-5)8(3)11/h3-13H,1-2H2.
What are the key properties of 2-phosphatricyclo[3.3.1.13,7]decane-4,6,8-triol?
2-phosphatricyclo[3.3.1.13,7]decane-4,6,8-triol has a molecular weight of 202.19 g/mol, XLogP of -0.46, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phosphatricyclo[3.3.1.13,7]decane-4,6,8-triol is sourced from PubChem (CID 91214490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).