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Mepaot

Mepaot structure

CAS No:
113789-44-9
Formula:
C48H74N12O12S2
Chemical Name:
Mepaot
Synonyms:
Oxytocin,1'-(1'-methyl-4'-thiopiperidine)acetic acid; Mepaot; 1'-(1'-Methyl-4'-thiopiperidine)acetic acid oxytocin; (2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[(10S,16S,19S,22R)-19-(2-amino-2-oxoethyl)-16-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-10-[(4-hydroxyphenyl)methyl]-3-methyl-8,11,14,17,20-pentaoxo-24,25-dithia-3,9,12,15,18,21-hexazaspiro[5.19]pentacosane-22-carbonyl]pyrrolidine-2; Oxytocin,1-(4-mercapto-1-methyl-4-piperidineacetic acid);

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Mepaot Basic Attributes

Molecular Weight：

1075.30000

Exact Mass：

1074.49905819

Characteristics

PSA：

454.75000

XLogP3：

4.30360

Density：

1.37g/cm3

Boiling Point：

1521.5ºC at 760 mmHg

Flash Point：

874ºC

Refractive Index：

1.63

Vapor Pressure：

0mmHg at 25°C

Drug Information

MeSH Entry Terms：

1'-(1'-methyl-4'-thiopiperidine)acetic acid oxytocin

Computed Properties

Molecular Weight:1075.3
XLogP3:-1.4
Hydrogen Bond Donor Count:11
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:17
Exact Mass:1074.49905819
Monoisotopic Mass:1074.49905819
Topological Polar Surface Area:427
Heavy Atom Count:74
Complexity:2040
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Mepaot

Basic Attributes
Characteristics
Drug Information
Computed Properties

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