CAS 10236-47-2|NARINGIN|4',5,7-Trihydroxyflavanone 7-rhamnoglucoside|7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-3,4-d...

General Information

Structure

Molecular Formula

C₂₇H₃₂O₁₄

Molecular Mass

580.53458

Exact Mass

580.1792057

Charge

InChI

InChI=1S/C27H32O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-7,10,16,18,20-30,32-36H,8-9H2,1H3

InChIKey

DFPMSGMNTNDNHN-UHFFFAOYSA-N

Canonic Smiles

OCC1OC(Oc2cc(O)c3c(c2)OC(CC3=O)c2ccc(cc2)O)C(C(C1O)O)OC1OC(C)C(C(C1O)O)O

Isomeric Smiles

CC1OC(OC2C(O)C(O)C(CO)OC2Oc2cc3c(C(=O)CC(O3)c3ccc(O)cc3)c(O)c2)C(O)C(O)C1O

Calculated Properties

JChem

Acid pKa

9.315869

H Acceptors

H Donor

LogD (pH = 5.5)

-0.15695165

LogD (pH = 7.4)

-0.16210435

Log P

-0.15688573

Molar Refractivity

134.3038

Polarizability

54.11746

Polar Surface Area

225.06

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

NARINGIN4',5,7-Trihydroxyflavanone 7-rhamnoglucosideISOHESPERIDIN PRACTICAL GRADE

IUPAC name

7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one

IUPAC Traditional name

naringine

Names and Identifiers

Registration numbers

CAS Number

EC Number

PubChem SID

PubChem CID