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2-[(3-acetamido-2,4,6-triiodophenyl)methyl-(carboxymethyl)amino]acetic acid;hydrate

2-[(3-acetamido-2,4,6-triiodophenyl)methyl-(carboxymethyl)amino]acetic acid;hydrate structure

CAS No:
19014-74-5
Formula:
C26H28I6N4O11
Chemical Name:
2-[(3-acetamido-2,4,6-triiodophenyl)methyl-(carboxymethyl)amino]acetic acid;hydrate
Synonyms:
ACETIC ACID, ((3-ACETAMIDO-2,4,6-TRIIODOBENZYL)IMINO)DI-, HYDRATE (2:1);19014-74-5;((3-Acetamido-2,4,6-triiodobenzyl)imino)diacetic acid hydrate (2:1);N-(2,4,6-Triiodo-3-acetamidobenzyl)iminodiacetic acid hemihydrate;DTXSID20172490

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2-[(3-acetamido-2,4,6-triiodophenyl)methyl-(carboxymethyl)amino]acetic acid;hydrate Basic Attributes

Molecular Weight：

1333.9 g/mol

Exact Mass：

1333.6023 g/mol

DSSTox ID：

DTXSID20172490

Characteristics

PSA：

215 Å²

Computed Properties

Molecular Weight:1333.9
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:14
Exact Mass:1333.6023
Monoisotopic Mass:1333.6023
Topological Polar Surface Area:215
Heavy Atom Count:47
Complexity:449
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes

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Guide of 2-[(3-acetamido-2,4,6-triiodophenyl)methyl-(carboxymethyl)amino]acetic acid;hydrate

Basic Attributes
Characteristics
Computed Properties

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