CID 18684818

C6H10BO6P — CID 18684818

IUPAC—
SMILES[B]C1OC(COC)C2OP(=O)(O)OC12
InChIInChI=1S/C6H10BO6P/c1-10-2-3-4-5(6(7)11-3)13-14(8,9)12-4/h3-6H,2H2,1H3,(H,8,9)
InChIKeyDFOPGRRYZQXDDC-UHFFFAOYSA-N
MW219.93 g/mol
LogP-0.59
Rot. Bonds2

About CID 18684818

CID 18684818 (PubChem CID 18684818) has the molecular formula C6H10BO6P and a molecular weight of 219.93 g/mol.

Molecular Properties

Compound NameCID 18684818
PubChem CID18684818
Molecular FormulaC6H10BO6P
Molecular Weight219.93 g/mol
Exact Mass220.03
IUPAC Name—
SMILES[B]C1OC(COC)C2OP(=O)(O)OC12
InChIInChI=1S/C6H10BO6P/c1-10-2-3-4-5(6(7)11-3)13-14(8,9)12-4/h3-6H,2H2,1H3,(H,8,9)
InChIKeyDFOPGRRYZQXDDC-UHFFFAOYSA-N
XLogP-0.59
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.93
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze CID 18684818 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

CID 91107619
CID 91107619
CID 20741832
CID 20741832
CID 59905629
CID 59905629
CID 58581223
CID 58581223
[(1R,5R,7R,8R)-3-hydroxy-8-methoxy-3-oxo-2,4,6-trioxa-3λ5-phosphabicyclo[3.2.1]octan-7-yl]methanol
CID 100950413
CID 154006888
CID 154006888
CID 89182472
CID 89182472
CID 159888747
CID 159888747
(1R,3S,5S,6S,8R,10R,11R,13R,15R,16R,18R,20R,21R,23S,25S,26S,28R,30R,31R,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecamethoxy-10,15,20,30,35-pentakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-5,25-dicarboxylic acid
CID 14464266
CID 164706434
CID 164706434
CID 59968610
CID 59968610
CID 21348493
CID 21348493

Frequently Asked Questions

What is the IUPAC name of CID 18684818?
The IUPAC name of CID 18684818 (CID 18684818) is not available.
What is the SMILES notation for CID 18684818?
The canonical SMILES for CID 18684818 is [B]C1OC(COC)C2OP(=O)(O)OC12.
What is the InChIKey of CID 18684818?
The InChIKey is DFOPGRRYZQXDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BO6P/c1-10-2-3-4-5(6(7)11-3)13-14(8,9)12-4/h3-6H,2H2,1H3,(H,8,9).
What are the key properties of CID 18684818?
CID 18684818 has a molecular weight of 219.93 g/mol, XLogP of -0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18684818 is sourced from PubChem (CID 18684818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).