Nitromethanetrispropionic acid

Inquiry

Molecular Formula:

C10H15NO8

Molecular Weight:

277.23

CAS Number:

59085-15-3

Catalog Number:

59085-15-3

Product Information

Molecular Formula:

C10H15NO8

Molecular Weight:

277.23

Description

Nitromethanetrispropionic acid is an indispensible compound in the biomedical sector and manifests remarkable promise as an efficacious cancer treatment. Its distinct chemical configuration contributes to its efficacy in selectively obstructing and restraining tumor proliferation.

Synonyms

LABOTEST-BB LT00645778; 4-(2-CARBOXYETHYL)-4-NITRO HEPTANEDIOIC ACID; RARECHEM AL BO 1279; NITROMETHANETRISPROPIONIC ACID; 1,1,1-Tris(2-carboxyethyl)nitromethane; 4-(2-carboxyethyl)-4-nitropimelic acid; 4-(2-Carboxyethyl)-4-nitroheptanedioic acid, 4-(2-Carbo

IUPAC Name

4-(2-carboxyethyl)-4-nitroheptanedioic acid

Canonical SMILES

C(CC(CCC(=O)O)(CCC(=O)O)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C10H15NO8/c12-7(13)1-4-10(11(18)19,5-2-8(14)15)6-3-9(16)17/h1-6H2,(H,12,13)(H,14,15)(H,16,17)

InChI Key

JCMYUFMDOYGRKD-UHFFFAOYSA-N

Melting Point

181-184 °C (lit.)

Flash Point

Not applicable

Purity

0.97

Safety Information

Hazards

H315 - H319 - H335

Precautionary Statement

P302 + P352 - P305 + P351 + P338

Computed Properties

XLogP3

-0.6

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

277.07976644 g/mol

Monoisotopic Mass

277.07976644 g/mol

Topological Polar Surface Area

158Å²

Heavy Atom Count

Formal Charge

Complexity

327

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
WO-2019173705-A1	Avobenzone-dendrimer conjugates	2018-03-08
US-2021100733-A1	Avobenzone-dendrimer conjugates	2018-03-08
EP-3546470-A1	Clearing agent	2016-11-25
JP-WO2018097239-A1	Clearing agent	2016-11-25
US-2019382435-A1	Clearing agent	2016-11-25
WO-2018097239-A1	Clearing agent	2016-11-25
US-2016228565-A1	Polyamide based peptidodendrimer conjugates	2014-12-24
US-2016158258-A1	Prevention and treatment of inflammatory conditions	2014-12-09
WO-2016094226-A1	Prevention and treatment of inflammatory conditions	2014-12-09
EP-3229811-B1	Prevention and treatment of inflammatory conditions	2014-12-09

Literatures

PMID	Publication Date	Title	Journal
11978127	2002-05-06	Tripodal pseudopeptides with three histidine or cysteine donors: synthesis and zinc complexation	Inorganic chemistry

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The dilution calculator equation

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