Glufosfamide - ≥96% , DNA disrupting agent, CAS No.132682-98-5, DNA disrupting agent

CAS: 132682-98-5 Cat. No.: G355086 Molecular Weight: 383.16

GRADE & PURITY ≥96%

Synonyms

beta-D-Glucopyranose, 1-[N,N'-bis(2-chloroethyl)phosphorodiamidate] | glc-IPM | .BETA.-D-GLUCOPYRANOSE, 1-(N,N'-BIS(2-CHLOROETHYL))PHOSPHORODIAMIDATE | DTXSID001031222 | Glucosylifostamide mustard | Glufosfamide | 1W5N8SZD9A | (2S,3R,4S,5S,6R)-2-bis(2-chl

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

beta-D-Glucopyranose, 1-[N, N'-bis(2-chloroethyl)phosphorodiamidate] | glc-IPM | .BETA.-D-GLUCOPYRANOSE, 1-(N, N'-BIS(2-CHLOROETHYL))PHOSPHORODIAMIDATE | DTXSID001031222 | Glucosylifostamide mustard | Glufosfamide | 1W5N8SZD9A | (2S, 3R, 4S, 5S, 6R)-2-bis(2-chl

Specifications & Purity

≥96%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

DISRUPTING AGENT

Mechanism of action

DNA disrupting agent

Purity

≥96%

Product Properties

• ALogP: -2

Names and Identifiers

• Pubchem Sid: 528775554
• Canonical Smiles: C(CCl)NP(=O)(NCCCl)OC1C(C(C(C(O1)CO)O)O)O
• IUPAC Name: (2S,3R,4S,5S,6R)-2-bis(2-chloroethylamino)phosphoryloxy-6-(hydroxymethyl)oxane-3,4,5-triol
• InChIKey: PSVUJBVBCOISSP-SPFKKGSWSA-N
• INCHI: 1S/C10H21Cl2N2O7P/c11-1-3-13-22(19,14-4-2-12)21-10-9(18)8(17)7(16)6(5-15)20-10/h6-10,15-18H,1-5H2,(H2,13,14,19)/t6-,7-,8+,9-,10+/m1/s1
• Isomeric SMILES: C(CCl)NP(=O)(NCCCl)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
• Molecular Weight: 383.16
• Reaxy-Rn: 50881872
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=50881872&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Monosaccharides
          • Level6 Hexoses

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Monosaccharides
• Direct Parent: Hexoses
• Alternative Parents: Phosphoric monoester diamides Phosphate esters Oxanes Secondary alcohols Polyols Oxacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Hexose monosaccharide - Phosphoric monoester diamide - Organic phosphoric acid amide - Phosphoric acid ester - Oxane - Organic phosphoric acid derivative - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Polyol - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organonitrogen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Alcohol - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as hexoses. These are monosaccharides in which the sugar unit is a is a six-carbon containing moeity.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 383.160 g/mol
• XLogP3: -2.000
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 9
• Exact Mass: 382.046 Da
• Monoisotopic Mass: 382.046 Da
• Topological Polar Surface Area: 141.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 369.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1