N-Acetyl amphotericin b

CAS

902457-23-2

Catalog Number

ACM902457232

Category

Other Products

Molecular Weight

966.12

Molecular Formula

C₄₉H₇₅NO₁₈

MSDS COA Spec Sheet

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Specification

Synonyms

N-Acetylamphotericin B;

IUPAC Name

(1S,3R,18S,19R,20R,21S,25R,27R,30R,31R,33S,35R,37S,38R)-3-(4-acetamido-3,5-dihydroxy-6-methyloxan-2-yl)oxy-19,25,27,30,31,33,35,37-octahydroxy-18,20,21-trimethyl-23-oxo-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carboxylic acid

Canonical SMILES

CC1C=CC=CC=CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC(C(CCC(CC(CC(=O)OC(C(C1O)C)C)O)O)O)O)O)O)O)C(=O)O)OC3C(C(C(C(O3)C)O)NC(=O)C)O

InChI Key

DIGUUNRLVBJXKB-UNCNTABKSA-N

Appearance

Yellow Solid

Exact Mass

965.49800

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of N-Acetyl amphotericin b?

The molecular formula of N-Acetyl amphotericin b is C49H75NO18.

When was N-Acetyl amphotericin b created and last modified?

N-Acetyl amphotericin b was created on 2013-05-22 and last modified on 2023-12-30.

What is the IUPAC name of N-Acetyl amphotericin b?

The IUPAC name of N-Acetyl amphotericin b is (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,33R,35S,36R,37S)-33-(4-acetamido-3,5-dihydroxy-6-methyloxan-2-yl)oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid.

What is the molecular weight of N-Acetyl amphotericin b?

The molecular weight of N-Acetyl amphotericin b is 966.1 g/mol.

What is the Canonical SMILES of N-Acetyl amphotericin b?

The Canonical SMILES of N-Acetyl amphotericin b is CC1C=CC=CC=CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC(C(CCC(CC(CC(=O)OC(C(C1O)C)C)O)O)O)O)O)O)O)C(=O)O)OC3C(C(C(C(O3)C)NC(=O)C)O.

How many hydrogen bond donor counts does N-Acetyl amphotericin b have?

N-Acetyl amphotericin b has 12 hydrogen bond donor counts.

What is the XLogP3-AA value of N-Acetyl amphotericin b?

The XLogP3-AA value of N-Acetyl amphotericin b is 2.5.

How many rotatable bond counts does N-Acetyl amphotericin b have?

N-Acetyl amphotericin b has 4 rotatable bond counts.

What is the topological polar surface area of N-Acetyl amphotericin b?

The topological polar surface area of N-Acetyl amphotericin b is 323?2.

How many defined atom stereocenter counts does N-Acetyl amphotericin b have?

N-Acetyl amphotericin b has 14 defined atom stereocenter counts.