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PRIMULAVERIN

PRIMULAVERIN structure

CAS No:
154-61-0
Formula:
C20H28O13
Chemical Name:
PRIMULAVERIN
Synonyms:
PRIMIN(SH);PRIMULAVERIN;PriMulaveroside;PRIMULAVERIN(P);methyl5-methoxy-2-(6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyloxy)benzoate;5-Methoxy-2-[(6-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]benzoicacidmethylester
Categories:
Analytical Chemistry > Standard

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PRIMULAVERIN Basic Attributes

Molecular Weight：

476.43

Exact Mass：

476.15300

UNII：

0B99IC5K2E

Characteristics

PSA：

194

XLogP3：

-2.5

Density：

1.56±0.1 g/cm3 (20 ºC 760 Torr)

Melting Point：

161-163℃

Boiling Point：

741.1ºC at 760 mmHg

Flash Point：

256.8ºC

Refractive Index：

1.623

Storage Conditions：

2-8°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

Marks：

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 40 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:476.4
XLogP3:-2.5
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:8
Exact Mass:476.15299094
Monoisotopic Mass:476.15299094
Topological Polar Surface Area:194
Heavy Atom Count:33
Complexity:635
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes