CAS No.27741-01-1,Geniposidic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	27741-01-1
Name:	Geniposidic acid
Article Data:	9

Formula:	C₁₆H₂₂O₁₀
Molecular Weight:	374.345
Synonyms:	Cyclopenta[c]pyran-4-carboxylicacid, 1-(b-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-,[1S-(1a,4aa,7aa)]-;Cyclopenta[c]pyran-4-carboxylic acid, 1a-(b-D-glucopyranosyloxy)-1,4aa,5,7aa-tetrahydro-7-(hydroxymethyl)-(8CI);Geniposidic acid;
Density:	1.64 g/cm³
Melting Point:	138-140 °C(Solv: methanol (67-56-1))
Boiling Point:	684.1 °C at 760 mmHg
Flash Point:	250.9 °C
PSA:	166.14000
LogP:	-2.31750

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Specification

The CAS register number of Geniposidic acid is 27741-01-1. It also can be called as Cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-, (1S-(1alpha,4aalpha,7aalpha))- and the IUPAC name about this chemical is (1S,4aS,7aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid. The molecular formula about this chemical is C₁₆H₂₂O₁₀and the molecular weight is 374.34. It belongs to the Iridoids. This product can be used as antioxidants in food or cosmetics, and also it is a component of treatment stress drug, it can be used as hair dye ingredient and it can be used as seed dressing agents for plant root growth.

Physical properties about Geniposidic acid are: (1)ACD/LogP: -1.69; (2)# of Rule of 5 Violations: 2; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 10; (8)#H bond donors: 6; (9)#Freely Rotating Bonds: 10; (10)Polar Surface Area: 100.14Å²; (11)Index of Refraction: 1.659; (12)Molar Refractivity: 83.74 cm³; (13)Molar Volume: 226.9 cm³; (14)Polarizability: 33.19x10^-24cm³; (15)Surface Tension: 91.6 dyne/cm; (16)Enthalpy of Vaporization: 114.77 kJ/mol; (17)Boiling Point: 684.1 °C at 760 mmHg; (18)Vapour Pressure: 1.14E-21 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)\C2=C\O[C@@H](O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)[C@@H]3C(=C/C[C@H]23)\CO
(2)InChI: InChI=1/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)/t7-,9-,10-,11-,12+,13-,15+,16+/m1/s1
(3)InChIKey: ZJDOESGVOWAULF-OGJQONSIBO
(4)Std. InChI: InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)/t7-,9-,10-,11-,12+,13-,15+,16+/m1/s1
(5)Std. InChIKey: ZJDOESGVOWAULF-OGJQONSISA-N