CID 88574739

C10H15BO5 — CID 88574739

IUPAC—
SMILES[B][C@@H]1C[C@@H](OC(C)=O)C[C@@H](COC(C)=O)O1
InChIInChI=1S/C10H15BO5/c1-6(12)14-5-9-3-8(15-7(2)13)4-10(11)16-9/h8-10H,3-5H2,1-2H3/t8-,9-,10-/m0/s1
InChIKeyXRTULFUURVSZDR-GUBZILKMSA-N
MW226.04 g/mol
LogP0.15
Rot. Bonds3

About CID 88574739

CID 88574739 (PubChem CID 88574739) has the molecular formula C10H15BO5 and a molecular weight of 226.04 g/mol.

Molecular Properties

Compound NameCID 88574739
PubChem CID88574739
Molecular FormulaC10H15BO5
Molecular Weight226.04 g/mol
Exact Mass226.10
IUPAC Name—
SMILES[B][C@@H]1C[C@@H](OC(C)=O)C[C@@H](COC(C)=O)O1
InChIInChI=1S/C10H15BO5/c1-6(12)14-5-9-3-8(15-7(2)13)4-10(11)16-9/h8-10H,3-5H2,1-2H3/t8-,9-,10-/m0/s1
InChIKeyXRTULFUURVSZDR-GUBZILKMSA-N
XLogP0.15
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.04
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze CID 88574739 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

3-acetyloxy-2-[(4R,6S)-4-acetyloxy-6-(acetyloxymethyl)oxan-2-yl]propanoic acid
CID 142342543
acetic acid;3-acetyloxy-2-[(4R,6S)-4-acetyloxy-6-(acetyloxymethyl)oxan-2-yl]propanoic acid
CID 142342542
(4-hydroxyoxetan-2-yl)methyl acetate
CID 67977653
[(2S)-4-hydroxyoxetan-2-yl]methyl acetate
CID 67977655
[4-acetyloxy-6-[(Z)-4-hydroxybut-2-enoxy]oxan-2-yl]methyl acetate
CID 142000686
[(2S,5S)-4,5-diacetyloxyoxolan-2-yl]methyl acetate
CID 144683652
[(2R,4R,6R)-6-acetyloxy-4-(1-hydroxyethoxy)oxan-2-yl]methyl acetate
CID 143562159
(4-acetyloxyoxan-2-yl)methyl acetate;thiohypobromous acid
CID 167512910
[4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]methyl acetate
CID 550322
[(4S,5R,6R)-4,5,6-triacetyloxyoxan-2-yl]methyl acetate
CID 170261667
[2-methoxy-6-(methoxymethyl)oxan-4-yl] acetate
CID 129275610
[(2S,4S,5R,6S)-4,5-diacetyloxy-6-sulfanyloxan-2-yl]methyl acetate
CID 57268816

Frequently Asked Questions

What is the IUPAC name of CID 88574739?
The IUPAC name of CID 88574739 (CID 88574739) is not available.
What is the SMILES notation for CID 88574739?
The canonical SMILES for CID 88574739 is [B][C@@H]1C[C@@H](OC(C)=O)C[C@@H](COC(C)=O)O1.
What is the InChIKey of CID 88574739?
The InChIKey is XRTULFUURVSZDR-GUBZILKMSA-N. The full InChI is InChI=1S/C10H15BO5/c1-6(12)14-5-9-3-8(15-7(2)13)4-10(11)16-9/h8-10H,3-5H2,1-2H3/t8-,9-,10-/m0/s1.
What are the key properties of CID 88574739?
CID 88574739 has a molecular weight of 226.04 g/mol, XLogP of 0.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88574739 is sourced from PubChem (CID 88574739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).