trihydroxy-(3-hydroxy-2-oxopropoxy)boranuide

C3H8BO6- — CID 135055893

IUPACtrihydroxy-(3-hydroxy-2-oxopropoxy)boranuide
SMILESO=C(CO)CO[B-](O)(O)O
InChIInChI=1S/C3H8BO6/c5-1-3(6)2-10-4(7,8)9/h5,7-9H,1-2H2/q-1
InChIKeyQYSAINFLXIUAOE-UHFFFAOYSA-N
MW150.90 g/mol
LogP-3.02
Rot. Bonds4

About trihydroxy-(3-hydroxy-2-oxopropoxy)boranuide

trihydroxy-(3-hydroxy-2-oxopropoxy)boranuide (PubChem CID 135055893) has the molecular formula C3H8BO6- and a molecular weight of 150.90 g/mol. Its IUPAC name is trihydroxy-(3-hydroxy-2-oxopropoxy)boranuide.

Molecular Properties

Compound Nametrihydroxy-(3-hydroxy-2-oxopropoxy)boranuide
PubChem CID135055893
Molecular FormulaC3H8BO6-
Molecular Weight150.90 g/mol
Exact Mass151.04
IUPAC Nametrihydroxy-(3-hydroxy-2-oxopropoxy)boranuide
SMILESO=C(CO)CO[B-](O)(O)O
InChIInChI=1S/C3H8BO6/c5-1-3(6)2-10-4(7,8)9/h5,7-9H,1-2H2/q-1
InChIKeyQYSAINFLXIUAOE-UHFFFAOYSA-N
XLogP-3.02
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.90
LogP ≤ 5-3.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trihydroxy-(3-hydroxy-2-oxopropoxy)boranuide?
The IUPAC name of trihydroxy-(3-hydroxy-2-oxopropoxy)boranuide (CID 135055893) is trihydroxy-(3-hydroxy-2-oxopropoxy)boranuide.
What is the SMILES notation for trihydroxy-(3-hydroxy-2-oxopropoxy)boranuide?
The canonical SMILES for trihydroxy-(3-hydroxy-2-oxopropoxy)boranuide is O=C(CO)CO[B-](O)(O)O.
What is the InChIKey of trihydroxy-(3-hydroxy-2-oxopropoxy)boranuide?
The InChIKey is QYSAINFLXIUAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8BO6/c5-1-3(6)2-10-4(7,8)9/h5,7-9H,1-2H2/q-1.
What are the key properties of trihydroxy-(3-hydroxy-2-oxopropoxy)boranuide?
trihydroxy-(3-hydroxy-2-oxopropoxy)boranuide has a molecular weight of 150.90 g/mol, XLogP of -3.02, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy-(3-hydroxy-2-oxopropoxy)boranuide is sourced from PubChem (CID 135055893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).