CAS No.79916-77-1,FORSYTHOSIDE A Suppliers

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Basic Information

Molecular Structure:
CAS No.:	79916-77-1
Name:	FORSYTHOSIDE A

Formula:	C₂₉H₃₆O₁₅
Molecular Weight:	624.596
Synonyms:	b-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl6-O-(6-deoxy-a-L-mannopyranosyl)-,4-[3-(3,4-dihydroxyphenyl)-2-propenoate], (E)-;Forsythiaside;
Density:	1.6 g/cm³
Boiling Point:	911.9 °C at 760 mmHg
Flash Point:	295.7 °C
PSA:	245.29000
LogP:	-1.01590

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Chemistry

Product Name: beta-D-Glucopyranoside,2-(3,4-dihydroxyphenyl)ethyl 6-O-(6-deoxy-a-L-mannopyranosyl)-,4-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoate] (CAS NO.79916-77-1)

Molecular Formula: C₂₉H₃₆O₁₅
Molecular Weight: 624.59g/mol
Mol File: 79916-77-1.mol
Index of Refraction: 1.689
Molar Refractivity: 148.4 cm³
Molar Volume: 388.5 cm³
Surface Tension: 97 dyne/cm
Density: 1.6 g/cm³
Flash Point: 295.7 °C
Enthalpy of Vaporization: 138.9 kJ/mol
Boiling Point: 911.9 °C at 760 mmHg
XLogP3-AA: -0.5
H-Bond Donor: 9
H-Bond Acceptor: 15
Structure Descriptors of beta-D-Glucopyranoside,2-(3,4-dihydroxyphenyl)ethyl 6-O-(6-deoxy-a-L-mannopyranosyl)-,4-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoate] (CAS NO.79916-77-1):
IUPAC Name: [(2R,3S,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-2-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl](E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Canonical SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCCC3=CC(=C(C=C3)O)O)O)O)OC(=O)C=CC4=CC(=C(C=C4)O)O)O)O)O
Isomeric SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OCCC3=CC(=C(C=C3)O)O)O)O)OC(=O)/C=C/C4=CC(=C(C=C4)O)O)O)O)O
InChI: InChI=1S/C29H36O15/c1-13-22(35)23(36)25(38)29(42-13)41-12-20-27(44-21(34)7-4-14-2-5-16(30)18(32)10-14)24(37)26(39)28(43-20)40-9-8-15-3-6-17(31)19(33)11-15/h2-7,10-11,13,20,22-33,35-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27+,28+,29+/m0/s1
InChIKey: DTOUWTJYUCZJQD-UJERWXFOSA-N

Specification

beta-D-Glucopyranoside,2-(3,4-dihydroxyphenyl)ethyl 6-O-(6-deoxy-a-L-mannopyranosyl)-,4-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoate] , its CAS NO. is 79916-77-1, the synonyms are Forsythoside A ; Forsythiaside ; beta-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-, 4-(3-(3,4-dihydroxyphenyl)-2-propenoate), (E)- .