3-Benzyloxy-5-hydroxyphenylpropenoic Acid 3-Sulfate Methyl Ester Triethylamine - CAS 1798428-50-8

Catalog:	BB073573
Product Name:	3-Benzyloxy-5-hydroxyphenylpropenoic Acid 3-Sulfate Methyl Ester Triethylamine
CAS:	1798428-50-8
Synonyms:	3-Benzyloxy-5-hydroxyphenylpropenoic Acid 3-Sulfate Methyl Ester Triethylamine; N,N-Diethylethanamine; methyl (E)-3-(3-phenylmethoxy-5-sulfooxyphenyl)prop-2-enoate

Technical Data

IUPAC Name:	N,N-diethylethanaminemethyl (E)-3-(3-phenylmethoxy-5-sulfooxyphenyl)prop-2-enoate
Description:	3-Benzyloxy-5-hydroxyphenylpropenoic Acid 3-Sulfate Methyl Ester Triethylamine (cas# 1798428-50-8) is a compound useful in organic synthesis.
Molecular Weight:	465.56
Molecular Formula:	C23H31NO7S
Canonical SMILES:	CCN(CC)CC.COC(=O)C=CC1=CC(=CC(=C1)OS(=O)(=O)O)OCC2=CC=CC=C2
InChI:	InChI=1S/C17H16O7S.C6H15N/c1-22-17(18)8-7-14-9-15(11-16(10-14)24-25(19,20)21)23-12-13-5-3-2-4-6-131-4-7(5-2)6-3/h2-11H,12H2,1H3,(H,19,20,21)4-6H2,1-3H3/b8-7+
InChI Key:	GGUIROGJJKEARX-USRGLUTNSA-N
Solubility:	Dichloromethane, Methanol
Appearance:	Pale Yellow Oil

Complexity:	572
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	465.1821235
Formal Charge:	0
Heavy Atom Count:	32
Hydrogen Bond Acceptor Count:	8
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	465.1821235
Rotatable Bond Count:	11
Topological Polar Surface Area:	111Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0