Triallyl-glucose

C15H24O6 — CID 145797543

IUPAC(5R,6S)-5,6-dihydroxy-5-prop-2-enyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]nona-1,8-dien-4-one
SMILESC=CCC(=O)[C@@](CC=C)([C@](CC=C)([C@@H]([C@@H](CO)O)O)O)O
InChIInChI=1S/C15H24O6/c1-4-7-12(18)14(20,8-5-2)15(21,9-6-3)13(19)11(17)10-16/h4-6,11,13,16-17,19-21H,1-3,7-10H2/t11-,13-,14+,15+/m1/s1
InChIKeyUGTLSNORSDMHKG-RZFFKMDDSA-N
MW300.35 g/mol
LogP-0.60
Rot. Bonds11

About Triallyl-glucose

Triallyl-glucose (PubChem CID 145797543) has the molecular formula C15H24O6 and a molecular weight of 300.35 g/mol. Its IUPAC name is (5R,6S)-5,6-dihydroxy-5-prop-2-enyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]nona-1,8-dien-4-one.

Molecular Properties

Compound NameTriallyl-glucose
PubChem CID145797543
Molecular FormulaC15H24O6
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Name(5R,6S)-5,6-dihydroxy-5-prop-2-enyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]nona-1,8-dien-4-one
SMILESC=CCC(=O)[C@@](CC=C)([C@](CC=C)([C@@H]([C@@H](CO)O)O)O)O
InChIInChI=1S/C15H24O6/c1-4-7-12(18)14(20,8-5-2)15(21,9-6-3)13(19)11(17)10-16/h4-6,11,13,16-17,19-21H,1-3,7-10H2/t11-,13-,14+,15+/m1/s1
InChIKeyUGTLSNORSDMHKG-RZFFKMDDSA-N
XLogP-0.60
TPSA118.00 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity394

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 5-0.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of Triallyl-glucose?
The IUPAC name of Triallyl-glucose (CID 145797543) is (5R,6S)-5,6-dihydroxy-5-prop-2-enyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]nona-1,8-dien-4-one.
What is the SMILES notation for Triallyl-glucose?
The canonical SMILES for Triallyl-glucose is C=CCC(=O)[C@@](CC=C)([C@](CC=C)([C@@H]([C@@H](CO)O)O)O)O.
What is the InChIKey of Triallyl-glucose?
The InChIKey is UGTLSNORSDMHKG-RZFFKMDDSA-N. The full InChI is InChI=1S/C15H24O6/c1-4-7-12(18)14(20,8-5-2)15(21,9-6-3)13(19)11(17)10-16/h4-6,11,13,16-17,19-21H,1-3,7-10H2/t11-,13-,14+,15+/m1/s1.
What are the key properties of Triallyl-glucose?
Triallyl-glucose has a molecular weight of 300.35 g/mol, XLogP of -0.60, 11 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Triallyl-glucose is sourced from PubChem (CID 145797543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).