CID 174034766

C6H10BO6P — CID 174034766

IUPAC—
SMILES[B]C1OC(/C=C/P(=O)(O)O)C(O)C1O
InChIInChI=1S/C6H10BO6P/c7-6-5(9)4(8)3(13-6)1-2-14(10,11)12/h1-6,8-9H,(H2,10,11,12)/b2-1+
InChIKeyVTAPARINSAWVIR-OWOJBTEDSA-N
MW219.93 g/mol
LogP-1.71
Rot. Bonds2

About CID 174034766

CID 174034766 (PubChem CID 174034766) has the molecular formula C6H10BO6P and a molecular weight of 219.93 g/mol.

Molecular Properties

Compound NameCID 174034766
PubChem CID174034766
Molecular FormulaC6H10BO6P
Molecular Weight219.93 g/mol
Exact Mass220.03
IUPAC Name—
SMILES[B]C1OC(/C=C/P(=O)(O)O)C(O)C1O
InChIInChI=1S/C6H10BO6P/c7-6-5(9)4(8)3(13-6)1-2-14(10,11)12/h1-6,8-9H,(H2,10,11,12)/b2-1+
InChIKeyVTAPARINSAWVIR-OWOJBTEDSA-N
XLogP-1.71
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.93
LogP ≤ 5-1.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 174034766?
The IUPAC name of CID 174034766 (CID 174034766) is not available.
What is the SMILES notation for CID 174034766?
The canonical SMILES for CID 174034766 is [B]C1OC(/C=C/P(=O)(O)O)C(O)C1O.
What is the InChIKey of CID 174034766?
The InChIKey is VTAPARINSAWVIR-OWOJBTEDSA-N. The full InChI is InChI=1S/C6H10BO6P/c7-6-5(9)4(8)3(13-6)1-2-14(10,11)12/h1-6,8-9H,(H2,10,11,12)/b2-1+.
What are the key properties of CID 174034766?
CID 174034766 has a molecular weight of 219.93 g/mol, XLogP of -1.71, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174034766 is sourced from PubChem (CID 174034766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).