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Candidin

Candidin structure

CAS No:
1405-90-9
Formula:
C47H71NO17
Chemical Name:
Candidin
Synonyms:
Amphotericin B,8,9-dideoxy-10-hydroxy-7-oxo-,(10R)-;Candidin;14,39-Dioxabicyclo[33.3.1]nonatriacontane,amphotericin B deriv.;(10R)-8,9-Dideoxy-10-hydroxy-7-oxoamphotericin B;Candidine;Candidin (Streptomyces);7-Oxo-7-deoxy-28,29-didehydronystatin
Categories:
Organic Chemistry > Lactones

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Candidin Basic Attributes

Molecular Weight：

922.068

Exact Mass：

922.06

EC Number：

215-788-3

UNII：

1N0J75483Y

Characteristics

PSA：

316 Å²

Density：

1.1480 (rough estimate)

Boiling Point：

800.21°C (rough estimate)

Refractive Index：

1.5280 (estimate)

Toxicity：

Oral-rat LD50: 100 mg/kg; Abdominal cavity-mouse LD50: 7 mg/kg

Flammability characteristics：

Thermal decomposition to emit toxic nitrogen oxide fumes

Specific rotation：

D27 +363° (c = 0.3 in DMF); D27 +205° (c = 0.3 in glacial acetic acid)

Safety Information

Storage features：

The warehouse is low-temperature, ventilated and dry; stored separately from food materials

Toxicity

Toxicity class：

highly toxic

Drug Information

MeSH：

Substances that destroy fungi by suppressing their ability to grow or reproduce. They differ from FUNGICIDES, INDUSTRIAL because they defend against fungi present in human or animal tissues. (See all compounds classified as Antifungal Agents.)

MeSH Entry Terms：

candidin

Computed Properties

Molecular Weight:922.1
XLogP3:-0.4
Hydrogen Bond Donor Count:11
Hydrogen Bond Acceptor Count:18
Rotatable Bond Count:3
Exact Mass:921.47219980
Monoisotopic Mass:921.47219980
Topological Polar Surface Area:316
Heavy Atom Count:65
Complexity:1710
Defined Atom Stereocenter Count:18
Defined Bond Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes