(2S,3S)-3-prop-2-enylbutane-1,2,4-triol

C7H14O3 — CID 13198344

IUPAC(2S,3S)-3-prop-2-enylbutane-1,2,4-triol
SMILESC=CC[C@@H](CO)[C@H](O)CO
InChIInChI=1S/C7H14O3/c1-2-3-6(4-8)7(10)5-9/h2,6-10H,1,3-5H2/t6-,7+/m0/s1
InChIKeyJCUGHNSSOSRNOG-NKWVEPMBSA-N
MW146.19 g/mol
LogP-0.48
Rot. Bonds5

About (2S,3S)-3-prop-2-enylbutane-1,2,4-triol

(2S,3S)-3-prop-2-enylbutane-1,2,4-triol (PubChem CID 13198344) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is (2S,3S)-3-prop-2-enylbutane-1,2,4-triol.

Molecular Properties

Compound Name(2S,3S)-3-prop-2-enylbutane-1,2,4-triol
PubChem CID13198344
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name(2S,3S)-3-prop-2-enylbutane-1,2,4-triol
SMILESC=CC[C@@H](CO)[C@H](O)CO
InChIInChI=1S/C7H14O3/c1-2-3-6(4-8)7(10)5-9/h2,6-10H,1,3-5H2/t6-,7+/m0/s1
InChIKeyJCUGHNSSOSRNOG-NKWVEPMBSA-N
XLogP-0.48
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S,3S)-3-prop-2-enylbutane-1,2,4-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-prop-2-enylbutane-1,2,4-triol?
The IUPAC name of (2S,3S)-3-prop-2-enylbutane-1,2,4-triol (CID 13198344) is (2S,3S)-3-prop-2-enylbutane-1,2,4-triol.
What is the SMILES notation for (2S,3S)-3-prop-2-enylbutane-1,2,4-triol?
The canonical SMILES for (2S,3S)-3-prop-2-enylbutane-1,2,4-triol is C=CC[C@@H](CO)[C@H](O)CO.
What is the InChIKey of (2S,3S)-3-prop-2-enylbutane-1,2,4-triol?
The InChIKey is JCUGHNSSOSRNOG-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H14O3/c1-2-3-6(4-8)7(10)5-9/h2,6-10H,1,3-5H2/t6-,7+/m0/s1.
What are the key properties of (2S,3S)-3-prop-2-enylbutane-1,2,4-triol?
(2S,3S)-3-prop-2-enylbutane-1,2,4-triol has a molecular weight of 146.19 g/mol, XLogP of -0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-prop-2-enylbutane-1,2,4-triol is sourced from PubChem (CID 13198344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).