CID 163774685

C5H10BO7P — CID 163774685

IUPAC—
SMILES[B][C@@H]1O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]1O
InChIInChI=1S/C5H10BO7P/c6-5-4(8)3(7)2(13-5)1-12-14(9,10)11/h2-5,7-8H,1H2,(H2,9,10,11)/t2-,3+,4+,5-/m1/s1
InChIKeyXAOXKYDYVJVGSS-MGCNEYSASA-N
MW223.91 g/mol
LogP-2.29
Rot. Bonds3

About CID 163774685

CID 163774685 (PubChem CID 163774685) has the molecular formula C5H10BO7P and a molecular weight of 223.91 g/mol.

Molecular Properties

Compound NameCID 163774685
PubChem CID163774685
Molecular FormulaC5H10BO7P
Molecular Weight223.91 g/mol
Exact Mass224.03
IUPAC Name—
SMILES[B][C@@H]1O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]1O
InChIInChI=1S/C5H10BO7P/c6-5-4(8)3(7)2(13-5)1-12-14(9,10)11/h2-5,7-8H,1H2,(H2,9,10,11)/t2-,3+,4+,5-/m1/s1
InChIKeyXAOXKYDYVJVGSS-MGCNEYSASA-N
XLogP-2.29
TPSA116.45 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.91
LogP ≤ 5-2.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze CID 163774685 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

[(3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 167077165
[(2R,4S,5R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 91746440
[(2R,3S,4S,5S)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 46876838
CID 135028849
CID 135028849
CID 22091074
CID 22091074
CID 131865245
CID 131865245
[(2R,3S,4R)-3,4-dihydroxy-5-methyloxolan-2-yl]methyl dihydrogen phosphate
CID 166808827
barium(2+);hydride;[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate
CID 173352052
CID 20778751
CID 20778751
2-[(2R,4R,5S)-3,4,5-trihydroxy-6-(phosphonooxymethyl)oxan-2-yl]acetic acid
CID 159754254
[(2S,4R,5S)-3,4,5-trihydroxy-6-(phosphonooxymethyl)oxan-2-yl] dihydrogen phosphate
CID 123165399
CID 133112741
CID 133112741

Frequently Asked Questions

What is the IUPAC name of CID 163774685?
The IUPAC name of CID 163774685 (CID 163774685) is not available.
What is the SMILES notation for CID 163774685?
The canonical SMILES for CID 163774685 is [B][C@@H]1O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]1O.
What is the InChIKey of CID 163774685?
The InChIKey is XAOXKYDYVJVGSS-MGCNEYSASA-N. The full InChI is InChI=1S/C5H10BO7P/c6-5-4(8)3(7)2(13-5)1-12-14(9,10)11/h2-5,7-8H,1H2,(H2,9,10,11)/t2-,3+,4+,5-/m1/s1.
What are the key properties of CID 163774685?
CID 163774685 has a molecular weight of 223.91 g/mol, XLogP of -2.29, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163774685 is sourced from PubChem (CID 163774685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).