CID 58593490

C6H11BO6P- — CID 58593490

IUPAC—
SMILES[B][C@H]1CC(OC)[C@@H](COP(=O)([O-])O)O1
InChIInChI=1S/C6H12BO6P/c1-11-4-2-6(7)13-5(4)3-12-14(8,9)10/h4-6H,2-3H2,1H3,(H2,8,9,10)/p-1/t4?,5-,6-/m1/s1
InChIKeyCZOWBDKZKRAMIN-YSLANXFLSA-M
MW220.93 g/mol
LogP-1.24
Rot. Bonds4

About CID 58593490

CID 58593490 (PubChem CID 58593490) has the molecular formula C6H11BO6P- and a molecular weight of 220.93 g/mol.

Molecular Properties

Compound NameCID 58593490
PubChem CID58593490
Molecular FormulaC6H11BO6P-
Molecular Weight220.93 g/mol
Exact Mass221.04
IUPAC Name—
SMILES[B][C@H]1CC(OC)[C@@H](COP(=O)([O-])O)O1
InChIInChI=1S/C6H12BO6P/c1-11-4-2-6(7)13-5(4)3-12-14(8,9)10/h4-6H,2-3H2,1H3,(H2,8,9,10)/p-1/t4?,5-,6-/m1/s1
InChIKeyCZOWBDKZKRAMIN-YSLANXFLSA-M
XLogP-1.24
TPSA88.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.93
LogP ≤ 5-1.24
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'}

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Frequently Asked Questions

What is the IUPAC name of CID 58593490?
The IUPAC name of CID 58593490 (CID 58593490) is not available.
What is the SMILES notation for CID 58593490?
The canonical SMILES for CID 58593490 is [B][C@H]1CC(OC)[C@@H](COP(=O)([O-])O)O1.
What is the InChIKey of CID 58593490?
The InChIKey is CZOWBDKZKRAMIN-YSLANXFLSA-M. The full InChI is InChI=1S/C6H12BO6P/c1-11-4-2-6(7)13-5(4)3-12-14(8,9)10/h4-6H,2-3H2,1H3,(H2,8,9,10)/p-1/t4?,5-,6-/m1/s1.
What are the key properties of CID 58593490?
CID 58593490 has a molecular weight of 220.93 g/mol, XLogP of -1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58593490 is sourced from PubChem (CID 58593490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).