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Frangulin B

Frangulin B structure

CAS No:
14101-04-3
Formula:
C20H18O9
Chemical Name:
Frangulin B
Synonyms:
9,10-Anthracenedione,3-(D-apio-β-D-furanosyloxy)-1,8-dihydroxy-6-methyl-;Frangulin B;3-(D-Apio-β-D-furanosyloxy)-1,8-dihydroxy-6-methyl-9,10-anthracenedione
Categories:
Analytical Chemistry > Standard

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Description

Frangulin B is an anthraquinone.

Frangulin B Basic Attributes

Molecular Weight：

402.35

Exact Mass：

402.35

EC Number：

237-953-9

UNII：

8CIK094KBU

Characteristics

PSA：

154

XLogP3：

0.00100

Density：

1.655±0.06 g/cm3 (20 ºC 760 Torr)

Melting Point：

196 °C

Boiling Point：

774.6±60.0 °C(Predicted)

Flash Point：

282.4ºC

Refractive Index：

1.726

Storage Conditions：

2-8°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (95%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 40 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

frangulin B

Computed Properties

Molecular Weight:402.4
XLogP3:1.3
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:3
Exact Mass:402.09508215
Monoisotopic Mass:402.09508215
Topological Polar Surface Area:154
Heavy Atom Count:29
Complexity:668
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes