[(2R,3S,4S,5S)-6-hydroxy-2,3,4,5-tetra(prop-2-enoyloxy)hexyl] prop-2-enoate

C21H24O11 — CID 133126600

IUPAC[(2R,3S,4S,5S)-6-hydroxy-2,3,4,5-tetra(prop-2-enoyloxy)hexyl] prop-2-enoate
SMILESC=CC(=O)OC[C@@H](OC(=O)C=C)[C@H](OC(=O)C=C)[C@@H](OC(=O)C=C)[C@H](CO)OC(=O)C=C
InChIInChI=1S/C21H24O11/c1-6-15(23)28-12-14(30-17(25)8-3)21(32-19(27)10-5)20(31-18(26)9-4)13(11-22)29-16(24)7-2/h6-10,13-14,20-22H,1-5,11-12H2/t13-,14+,20-,21-/m0/s1
InChIKeyWNIXCOAEDWUJQP-ZVLVQXPOSA-N
MW452.41 g/mol
LogP0.10
Rot. Bonds15

About [(2R,3S,4S,5S)-6-hydroxy-2,3,4,5-tetra(prop-2-enoyloxy)hexyl] prop-2-enoate

[(2R,3S,4S,5S)-6-hydroxy-2,3,4,5-tetra(prop-2-enoyloxy)hexyl] prop-2-enoate (PubChem CID 133126600) has the molecular formula C21H24O11 and a molecular weight of 452.41 g/mol. Its IUPAC name is [(2R,3S,4S,5S)-6-hydroxy-2,3,4,5-tetra(prop-2-enoyloxy)hexyl] prop-2-enoate.

Molecular Properties

Compound Name[(2R,3S,4S,5S)-6-hydroxy-2,3,4,5-tetra(prop-2-enoyloxy)hexyl] prop-2-enoate
PubChem CID133126600
Molecular FormulaC21H24O11
Molecular Weight452.41 g/mol
Exact Mass452.13
IUPAC Name[(2R,3S,4S,5S)-6-hydroxy-2,3,4,5-tetra(prop-2-enoyloxy)hexyl] prop-2-enoate
SMILESC=CC(=O)OC[C@@H](OC(=O)C=C)[C@H](OC(=O)C=C)[C@@H](OC(=O)C=C)[C@H](CO)OC(=O)C=C
InChIInChI=1S/C21H24O11/c1-6-15(23)28-12-14(30-17(25)8-3)21(32-19(27)10-5)20(31-18(26)9-4)13(11-22)29-16(24)7-2/h6-10,13-14,20-22H,1-5,11-12H2/t13-,14+,20-,21-/m0/s1
InChIKeyWNIXCOAEDWUJQP-ZVLVQXPOSA-N
XLogP0.10
TPSA151.73 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.41
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [(2R,3S,4S,5S)-6-hydroxy-2,3,4,5-tetra(prop-2-enoyloxy)hexyl] prop-2-enoate 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

2-[1,2-di(prop-2-enoyloxy)ethyl]but-3-enoic acid
CID 87313274
[(2R,3R)-2,3,4-trihydroxybutyl] prop-2-enoate
CID 87646128
methane;2-prop-2-enoyloxypropyl prop-2-enoate
CID 161351901
[2-tert-butyl-6,6-dimethyl-3,4-di(prop-2-enoyloxy)heptyl] prop-2-enoate;(2-tert-butyl-5,5-dimethyl-3-prop-2-enoyloxyhexyl) prop-2-enoate;[2-tert-butyl-7,7-dimethyl-3,4,5-tri(prop-2-enoyloxy)octyl] prop-2-enoate;[2,2,8,8-tetramethyl-5,6-di(prop-2-enoyloxy)nonan-4-yl] prop-2-enoate;(2,2,7,7-tetramethyl-5-prop-2-enoyloxyoctan-4-yl) prop-2-enoate;[2,2,9,9-tetramethyl-5,6,7-tri(prop-2-enoyloxy)decan-4-yl] prop-2-enoate
CID 161277316
[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] prop-2-enoate
CID 54377750
2,2-bis(sulfanyl)ethyl prop-2-enoate
CID 150173166
[2-hydroxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoyloxypropoxy)propoxy]propyl] prop-2-enoate;methane
CID 158073431
2-hydroxy-3-prop-2-enoyloxypropanoic acid
CID 118523879
(2-hydroxy-2-sulfanylethyl) prop-2-enoate
CID 150473785
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl prop-2-enoate
CID 139889526
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl prop-2-enoate
CID 121420632
(4-hydroxy-2,3-dimethyl-4-prop-2-enoyloxybutyl) prop-2-enoate
CID 19428957

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S,5S)-6-hydroxy-2,3,4,5-tetra(prop-2-enoyloxy)hexyl] prop-2-enoate?
The IUPAC name of [(2R,3S,4S,5S)-6-hydroxy-2,3,4,5-tetra(prop-2-enoyloxy)hexyl] prop-2-enoate (CID 133126600) is [(2R,3S,4S,5S)-6-hydroxy-2,3,4,5-tetra(prop-2-enoyloxy)hexyl] prop-2-enoate.
What is the SMILES notation for [(2R,3S,4S,5S)-6-hydroxy-2,3,4,5-tetra(prop-2-enoyloxy)hexyl] prop-2-enoate?
The canonical SMILES for [(2R,3S,4S,5S)-6-hydroxy-2,3,4,5-tetra(prop-2-enoyloxy)hexyl] prop-2-enoate is C=CC(=O)OC[C@@H](OC(=O)C=C)[C@H](OC(=O)C=C)[C@@H](OC(=O)C=C)[C@H](CO)OC(=O)C=C.
What is the InChIKey of [(2R,3S,4S,5S)-6-hydroxy-2,3,4,5-tetra(prop-2-enoyloxy)hexyl] prop-2-enoate?
The InChIKey is WNIXCOAEDWUJQP-ZVLVQXPOSA-N. The full InChI is InChI=1S/C21H24O11/c1-6-15(23)28-12-14(30-17(25)8-3)21(32-19(27)10-5)20(31-18(26)9-4)13(11-22)29-16(24)7-2/h6-10,13-14,20-22H,1-5,11-12H2/t13-,14+,20-,21-/m0/s1.
What are the key properties of [(2R,3S,4S,5S)-6-hydroxy-2,3,4,5-tetra(prop-2-enoyloxy)hexyl] prop-2-enoate?
[(2R,3S,4S,5S)-6-hydroxy-2,3,4,5-tetra(prop-2-enoyloxy)hexyl] prop-2-enoate has a molecular weight of 452.41 g/mol, XLogP of 0.10, 15 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S,5S)-6-hydroxy-2,3,4,5-tetra(prop-2-enoyloxy)hexyl] prop-2-enoate is sourced from PubChem (CID 133126600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).