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Pneumocandin Bo

Pneumocandin Bo structure

CAS No:
135575-42-7
Formula:
C50H80N8O17
Chemical Name:
Pneumocandin Bo
Synonyms:
Pneumocandin B0; CHEMBL269311; L-688786
Categories:
Pharmaceutical Intermediates > Antifungals

Description

Pneumocandin B0(L-688786), a key intermediate in the synthesis of the antifungal agent, Cancidas, has led to the identification of several materials with potential for improved performance.

Pneumocandin Bo Basic Attributes

Molecular Weight：

1065.21

Exact Mass：

1064.564087

Characteristics

PSA：

411

XLogP3：

-1.05910

Density：

1.4±0.1 g/cm3

Boiling Point：

1442.9°C at 760 mmHg

Flash Point：

826.5±34.3 °C

Refractive Index：

1.630

Vapor Pressure：

0mmHg at 25°C

Safety Information

GHS Classification：

|Danger|H315 (92.31%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P272, P273, P280, P285, P302+P352, P304+P340, P304+P341, P305+P351+P338, P310, P312, P321, P332+P313, P333+P313, P342+P311, P362, P363, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 15 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

L 688,786

Computed Properties

Molecular Weight:1065.2
XLogP3:0.5
Hydrogen Bond Donor Count:15
Hydrogen Bond Acceptor Count:17
Rotatable Bond Count:20
Exact Mass:1064.56414311
Monoisotopic Mass:1064.56414311
Topological Polar Surface Area:411
Heavy Atom Count:75
Complexity:1930
Defined Atom Stereocenter Count:14
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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