CID 158362143

C10H18BO6P — CID 158362143

IUPAC—
SMILES[B][C@@H]1O[C@H](/C=C/P(=O)(O)O)C(O)[C@@H]1OCCCC
InChIInChI=1S/C10H18BO6P/c1-2-3-5-16-9-8(12)7(17-10(9)11)4-6-18(13,14)15/h4,6-10,12H,2-3,5H2,1H3,(H2,13,14,15)/b6-4+/t7-,8?,9+,10-/m1/s1
InChIKeySJJVUVRJNOLBSM-MRSUUNIFSA-N
MW276.03 g/mol
LogP0.12
Rot. Bonds6

About CID 158362143

CID 158362143 (PubChem CID 158362143) has the molecular formula C10H18BO6P and a molecular weight of 276.03 g/mol.

Molecular Properties

Compound NameCID 158362143
PubChem CID158362143
Molecular FormulaC10H18BO6P
Molecular Weight276.03 g/mol
Exact Mass276.09
IUPAC Name—
SMILES[B][C@@H]1O[C@H](/C=C/P(=O)(O)O)C(O)[C@@H]1OCCCC
InChIInChI=1S/C10H18BO6P/c1-2-3-5-16-9-8(12)7(17-10(9)11)4-6-18(13,14)15/h4,6-10,12H,2-3,5H2,1H3,(H2,13,14,15)/b6-4+/t7-,8?,9+,10-/m1/s1
InChIKeySJJVUVRJNOLBSM-MRSUUNIFSA-N
XLogP0.12
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.03
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze CID 158362143 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 174012603
CID 174012603
CID 174034766
CID 174034766
CID 148783137
CID 148783137
(3S,6R)-4-butoxy-3,5,6-trihydroxyoxane-2-carbaldehyde
CID 88954386
[(E)-2-[3-hydroxy-6-methoxy-4,5-bis(phenylmethoxy)oxan-2-yl]ethenyl]phosphonic acid
CID 146367072
(1S,2R,3R,4S,5S,6R)-3,4,5,6-tetrabutoxycyclohexane-1,2-diol
CID 70406349
[(1S,2R,3S,4S,5R,6R)-2,3-dibutoxy-4,5,6-triphosphonooxycyclohexyl] dihydrogen phosphate
CID 18394293
(2S,3S,4S,5S,6S)-3-butoxy-6-(hydroxymethyl)oxane-2,4,5-triol
CID 146216378
CID 170589273
CID 170589273
(2R,3R,4S,5S)-4,5-dibutoxy-2-(hydroxymethyl)oxolan-3-ol
CID 71286385
2-[hydroxy-[(1S,2R,4S,5S)-2,3,4-tributoxy-5,6-bis[[carboxymethyl(hydroxy)phosphoryl]oxy]cyclohexyl]oxyphosphoryl]acetic acid
CID 87475014
[(2R,3S,4S,5R,6S)-3,4-dihydroxy-5-phosphonooxy-6-tetradecoxyoxan-2-yl]methyl hydrogen carbonate
CID 22209767

Frequently Asked Questions

What is the IUPAC name of CID 158362143?
The IUPAC name of CID 158362143 (CID 158362143) is not available.
What is the SMILES notation for CID 158362143?
The canonical SMILES for CID 158362143 is [B][C@@H]1O[C@H](/C=C/P(=O)(O)O)C(O)[C@@H]1OCCCC.
What is the InChIKey of CID 158362143?
The InChIKey is SJJVUVRJNOLBSM-MRSUUNIFSA-N. The full InChI is InChI=1S/C10H18BO6P/c1-2-3-5-16-9-8(12)7(17-10(9)11)4-6-18(13,14)15/h4,6-10,12H,2-3,5H2,1H3,(H2,13,14,15)/b6-4+/t7-,8?,9+,10-/m1/s1.
What are the key properties of CID 158362143?
CID 158362143 has a molecular weight of 276.03 g/mol, XLogP of 0.12, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158362143 is sourced from PubChem (CID 158362143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).