CID 123293120

C16H30BO5P — CID 123293120

IUPAC—
SMILES[B]C1CC(=C)C(C(C)C(C)(CC)OP(=O)(O)C(O)(CC)CC)O1
InChIInChI=1S/C16H30BO5P/c1-7-15(6,12(5)14-11(4)10-13(17)21-14)22-23(19,20)16(18,8-2)9-3/h12-14,18H,4,7-10H2,1-3,5-6H3,(H,19,20)
InChIKeyVFHLJSZXZKZNRK-UHFFFAOYSA-N
MW344.20 g/mol
LogP3.34
Rot. Bonds8

About CID 123293120

CID 123293120 (PubChem CID 123293120) has the molecular formula C16H30BO5P and a molecular weight of 344.20 g/mol.

Molecular Properties

Compound NameCID 123293120
PubChem CID123293120
Molecular FormulaC16H30BO5P
Molecular Weight344.20 g/mol
Exact Mass344.19
IUPAC Name—
SMILES[B]C1CC(=C)C(C(C)C(C)(CC)OP(=O)(O)C(O)(CC)CC)O1
InChIInChI=1S/C16H30BO5P/c1-7-15(6,12(5)14-11(4)10-13(17)21-14)22-23(19,20)16(18,8-2)9-3/h12-14,18H,4,7-10H2,1-3,5-6H3,(H,19,20)
InChIKeyVFHLJSZXZKZNRK-UHFFFAOYSA-N
XLogP3.34
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.20
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 123684477
CID 123684477
2-[hydroxy(3-hydroxypentan-3-yl)phosphoryl]oxybutan-2-ylphosphonic acid
CID 123971949
[2-[5-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]-3-methylpentan-3-yl]oxy-(2-hydroxybutan-2-yl)phosphinic acid
CID 123882493
[2-[3,4-dihydroxy-5-(1-methyl-2,4-dioxopyrimidin-5-yl)oxolan-2-yl]-3-methylpentan-3-yl]oxy-(2-hydroxybutan-2-yl)phosphinic acid
CID 123875303
[2-(3-methylpentan-3-yloxy)-2-oxo-1-phosphonoethyl]phosphonic acid
CID 54307937
CID 90268150
CID 90268150
3-[(11S,13S,14R)-7-amino-13,14-dihydroxy-15-oxa-2,4,6,9-tetrazatetracyclo[10.2.1.02,10.03,8]pentadeca-3,5,7,9-tetraen-11-yl]pentan-3-yloxy-(3-hydroxypentan-3-yl)phosphinic acid
CID 126658567
[1-[3-hydroxy-5-(7-methyl-6-oxo-1H-purin-9-ium-9-yl)oxolan-2-yl]-2-methylbutan-2-yl]oxy-(3-hydroxypentan-3-yl)phosphinic acid
CID 137096208
[1-[5-(2-amino-6-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-2-methylbutan-2-yl]oxy-(3-hydroxypentan-3-yl)phosphinic acid
CID 123417421
[1-[5-(6-chloropurin-9-yl)-3-hydroxyoxolan-2-yl]-2-methylbutan-2-yl]oxy-(3-hydroxypentan-3-yl)phosphinic acid
CID 123177221
2-[(2S,3S,4R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yloxy-(3-hydroxypentan-3-yl)phosphinic acid
CID 166783601
CID 174319424
CID 174319424

Frequently Asked Questions

What is the IUPAC name of CID 123293120?
The IUPAC name of CID 123293120 (CID 123293120) is not available.
What is the SMILES notation for CID 123293120?
The canonical SMILES for CID 123293120 is [B]C1CC(=C)C(C(C)C(C)(CC)OP(=O)(O)C(O)(CC)CC)O1.
What is the InChIKey of CID 123293120?
The InChIKey is VFHLJSZXZKZNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30BO5P/c1-7-15(6,12(5)14-11(4)10-13(17)21-14)22-23(19,20)16(18,8-2)9-3/h12-14,18H,4,7-10H2,1-3,5-6H3,(H,19,20).
What are the key properties of CID 123293120?
CID 123293120 has a molecular weight of 344.20 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123293120 is sourced from PubChem (CID 123293120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).