Martynoside supplier | CasNO.67884-12-2

Name
Martynoside
EINECS
CAS No. 67884-12-2
Density 1.48 g/cm³
Solubility
Melting Point
Formula C₃₁H₄₀O₁₅
Boiling Point 865.1 °C at 760 mmHg
Molecular Weight 652.65
Flash Point 274.9 °C
Transport Information
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Risk Codes
Molecular Structure
Hazard Symbols
Synonyms MARTYNOSIDE;1-O-(3-Hydroxy-4-methoxyphenethyl)-3-O-(α-L-rhamnopyranosyl)-β-D-glucopyranose 4-(3-methoxy-4-hydroxy-trans-cinnamate);2-(3-Hydroxy-4-methoxyphenyl)ethyl 3-O-(α-L-rhamnopyranosyl)-4-O-[(E)-3-(4-hydroxy-3-methoxyphenyl)acryloyl]-β-D-glucopyranoside;3-Hydroxy-4-methoxyphenethyl 3-O-α-L-rhamnopyranosyl-4-O-(3-methoxy-4-hydroxy-trans-cinnamoyl)-β-D-glucopyranoside;Martyside
PSA 223.29000
LogP -0.40990

Martynoside Specification

The CAS registry number of Martynoside is 67884-12-2. This chemical's molecular formula is C₃₁H₄₀O₁₅ and molecular weight is 652.642. What's more, its IUPAC name is called [(2R,3R,4R,5R,6R)-5-Hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(4-hydroxy-3- methoxyphenyl)prop-2-enoate.

Physical properties about Martynoside are: (1)ACD/LogP: 2.96; (2)#of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 2.96; (4)ACD/LogD (pH 7.4): 2.96; (5)ACD/BCF (pH 5.5): 104.77; (6)ACD/BCF (pH 7.4): 103.98; (7)ACD/KOC (pH 5.5): 972.03; (8)ACD/KOC (pH 7.4): 964.69; (9)#H bond acceptors: 15; (10)#H bond donors: 7; (11)#Freely Rotating Bonds: 20; (12)Polar Surface Area: 146.29 Å²; (13)Index of Refraction: 1.641; (14)Molar Refractivity: 158.07 cm³; (15)Molar Volume: 438.1 cm³; (16)Surface Tension: 79.1 dyne/cm; (17)Density: 1.48 g/cm³; (18)Flash Point: 274.9 °C; (19)Enthalpy of Vaporization: 131.72 kJ/mol; (20)Boiling Point: 865.1 °C at 760 mmHg; (21)Vapour Pressure: 6.22E-32 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O[C@H]3[C@H](O[C@@H]1O[C@H]([C@H](O)[C@@H](O)[C@H]1O)C)[C@@H](O)[C@H](OCCc2ccc(OC)c(O)c2)O[C@@H]3CO)\C=C\c4ccc(O)c(OC)c4
(2) InChI: InChI=1/C31H40O15/c1-15-24(36)25(37)26(38)31(43-15)46-29-27(39)30(42-11-10-17-5-8-20(40-2)19(34)12-17)44-22(14-32)28(29)45-23(35)9-6-16-4-7-18(33)21(13-16)41-3/h4-9,12-13,15,22,24-34,36-39H,10-11,14H2,1-3H3/b9-6+/t15-,22+,24-,25+,26+,27+,28+,29+,30+,31-/m0/s1
(3) InChIKey: WLWAYPFRKDSFCL-CNMJWYMJBM

Product Name

Martynoside

Martynoside Specification

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