(Z)-5,6-dihydroxy-2,3-bis(phenylmethoxy)hex-2-enoic acid

C20H22O6 — CID 144596973

IUPAC(Z)-5,6-dihydroxy-2,3-bis(phenylmethoxy)hex-2-enoic acid
SMILESO=C(O)/C(OCc1ccccc1)=C(\CC(O)CO)OCc1ccccc1
InChIInChI=1S/C20H22O6/c21-12-17(22)11-18(25-13-15-7-3-1-4-8-15)19(20(23)24)26-14-16-9-5-2-6-10-16/h1-10,17,21-22H,11-14H2,(H,23,24)/b19-18-
InChIKeySLWPZYDJBGGYBW-HNENSFHCSA-N
MW358.39 g/mol
LogP2.46
Rot. Bonds10

About (Z)-5,6-dihydroxy-2,3-bis(phenylmethoxy)hex-2-enoic acid

(Z)-5,6-dihydroxy-2,3-bis(phenylmethoxy)hex-2-enoic acid (PubChem CID 144596973) has the molecular formula C20H22O6 and a molecular weight of 358.39 g/mol. Its IUPAC name is (Z)-5,6-dihydroxy-2,3-bis(phenylmethoxy)hex-2-enoic acid.

Molecular Properties

Compound Name(Z)-5,6-dihydroxy-2,3-bis(phenylmethoxy)hex-2-enoic acid
PubChem CID144596973
Molecular FormulaC20H22O6
Molecular Weight358.39 g/mol
Exact Mass358.14
IUPAC Name(Z)-5,6-dihydroxy-2,3-bis(phenylmethoxy)hex-2-enoic acid
SMILESO=C(O)/C(OCc1ccccc1)=C(\CC(O)CO)OCc1ccccc1
InChIInChI=1S/C20H22O6/c21-12-17(22)11-18(25-13-15-7-3-1-4-8-15)19(20(23)24)26-14-16-9-5-2-6-10-16/h1-10,17,21-22H,11-14H2,(H,23,24)/b19-18-
InChIKeySLWPZYDJBGGYBW-HNENSFHCSA-N
XLogP2.46
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-5,6-dihydroxy-2,3-bis(phenylmethoxy)hex-2-enoic acid 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

dibenzyl 3-hydroxypentanedioate
CID 23067924
benzyl (2S)-4-amino-2-hydroxy-4-oxobutanoate
CID 10922133
benzyl (2R)-4-amino-2-hydroxy-4-oxobutanoate
CID 11770072
benzyl N-(2,3-dihydroxypropyl)-N-ethylcarbamate
CID 139796649
benzyl N-(3,4-dihydroxybutyl)carbamate
CID 66736526
CID 174906307
CID 174906307
3-hydroxy-4-oxo-4-phenylmethoxybutanoic acid
CID 14585849
benzyl (3S)-3-hydroxypentanoate
CID 131888436
benzyl (3S)-4-bromo-3-hydroxybutanoate
CID 141383144
benzyl (3S)-3-hydroxy-4-iodobutanoate
CID 141383143
benzyl 2-(2,3-dihydroxypropylsulfinyl)propanoate
CID 123117580
benzyl 2-amino-2-hydroxyacetate
CID 123342440

Frequently Asked Questions

What is the IUPAC name of (Z)-5,6-dihydroxy-2,3-bis(phenylmethoxy)hex-2-enoic acid?
The IUPAC name of (Z)-5,6-dihydroxy-2,3-bis(phenylmethoxy)hex-2-enoic acid (CID 144596973) is (Z)-5,6-dihydroxy-2,3-bis(phenylmethoxy)hex-2-enoic acid.
What is the SMILES notation for (Z)-5,6-dihydroxy-2,3-bis(phenylmethoxy)hex-2-enoic acid?
The canonical SMILES for (Z)-5,6-dihydroxy-2,3-bis(phenylmethoxy)hex-2-enoic acid is O=C(O)/C(OCc1ccccc1)=C(\CC(O)CO)OCc1ccccc1.
What is the InChIKey of (Z)-5,6-dihydroxy-2,3-bis(phenylmethoxy)hex-2-enoic acid?
The InChIKey is SLWPZYDJBGGYBW-HNENSFHCSA-N. The full InChI is InChI=1S/C20H22O6/c21-12-17(22)11-18(25-13-15-7-3-1-4-8-15)19(20(23)24)26-14-16-9-5-2-6-10-16/h1-10,17,21-22H,11-14H2,(H,23,24)/b19-18-.
What are the key properties of (Z)-5,6-dihydroxy-2,3-bis(phenylmethoxy)hex-2-enoic acid?
(Z)-5,6-dihydroxy-2,3-bis(phenylmethoxy)hex-2-enoic acid has a molecular weight of 358.39 g/mol, XLogP of 2.46, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5,6-dihydroxy-2,3-bis(phenylmethoxy)hex-2-enoic acid is sourced from PubChem (CID 144596973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).