2-(Carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;[2-hydroxy-3-(4-hydroxy-2-methyl-5-oxofuro[3,2-g]chromen-9-yl)oxypropyl]-(phenylmethyl)-propan-2-ylazanium

Catalog Number

ACM37855779

Product Name

2-(Carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;[2-hydroxy-3-(4-hydroxy-2-methyl-5-oxofuro[3,2-g]chromen-9-yl)oxypropyl]-(phenylmethyl)-propan-2-ylazanium

Structure

CAS

37855-77-9

Category

Heterocyclic Organic Compound

Synonyms

CID37842, LS-70694, 9-(3-Benzylisopropylamino-2-hydroxypropoxy)-4-hydroxy-7-methylfuro(3,2-g)chromone citrate, Furo(3,2-g)chromone,9-(3-benzylisopropylamino-2-hydroxypropoxy)-4-hydroxy-7-methyl-,citrate, 5H-Furo(3,2-g)(1)benzopyran-5-one, 9-(3-(benzylisopropylamino)-2-hydroxypropoxy)-4-hydroxy-7-methyl-, citrate, 5H-FURO(3,2-g)(1)BENZOPYRAN-5-ONE, 9-(3-(BENZYLISOPROPYLAMINO)-2-HYDROXYPROPOXY), 37855-77-9

IUPAC Name

benzyl-[2-hydroxy-3-(4-hydroxy-2-methyl-5-oxofuro[3,2-g]chromen-9-yl)oxypropyl]-propan-2-ylazanium; 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate

Molecular Weight

629.609 g/mol

Molecular Formula

C₃₁H₃₅NO₁₃

Canonical SMILES

CC1=CC2=C(O1)C(=C3C(=C2O)C(=O)C=CO3)OCC(C[NH+](CC4=CC=CC=C4)C(C)C)O.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O

InChI Key

DATKQKVGXFCKFD-UHFFFAOYSA-N

Boiling Point

541.7ºC at 760 mmHg

Flash Point

281.4ºC

Exact Mass

629.21100

H-Bond Acceptor

13

H-Bond Donor

6

MSDS

COA

Spec Sheet