CID 175818048

C3H7BO3 — CID 175818048

IUPAC—
SMILES[B]C(O)C(O)CO
InChIInChI=1S/C3H7BO3/c4-3(7)2(6)1-5/h2-3,5-7H,1H2
InChIKeyUXLHTJANZTVNKP-UHFFFAOYSA-N
MW101.90 g/mol
LogP-2.17
Rot. Bonds2

About CID 175818048

CID 175818048 (PubChem CID 175818048) has the molecular formula C3H7BO3 and a molecular weight of 101.90 g/mol.

Molecular Properties

Compound NameCID 175818048
PubChem CID175818048
Molecular FormulaC3H7BO3
Molecular Weight101.90 g/mol
Exact Mass102.05
IUPAC Name—
SMILES[B]C(O)C(O)CO
InChIInChI=1S/C3H7BO3/c4-3(7)2(6)1-5/h2-3,5-7H,1H2
InChIKeyUXLHTJANZTVNKP-UHFFFAOYSA-N
XLogP-2.17
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.90
LogP ≤ 5-2.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 123281160
CID 123281160
(2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 135394797
(2S,4S)-pentane-1,2,3,4,5-pentol
CID 139064085
(2R,5S)-hexane-1,2,3,4,5,6-hexol
CID 88909362
(2R,3S,4S,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 87912891
(2R,3R)-4-aminobutane-1,2,3-triol
CID 25150845
1-chloropropane-1,2,3-triol;hydrate
CID 141440850
(3R,5R,6R)-heptane-1,2,3,4,5,6,7-heptol
CID 87483282
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;iron
CID 173421469
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;methane
CID 155195650
pentane-1,2,3,4,5-pentol;dihydrochloride
CID 175842943
CID 87266813
CID 87266813

Frequently Asked Questions

What is the IUPAC name of CID 175818048?
The IUPAC name of CID 175818048 (CID 175818048) is not available.
What is the SMILES notation for CID 175818048?
The canonical SMILES for CID 175818048 is [B]C(O)C(O)CO.
What is the InChIKey of CID 175818048?
The InChIKey is UXLHTJANZTVNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7BO3/c4-3(7)2(6)1-5/h2-3,5-7H,1H2.
What are the key properties of CID 175818048?
CID 175818048 has a molecular weight of 101.90 g/mol, XLogP of -2.17, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175818048 is sourced from PubChem (CID 175818048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).