DL-Dithiothreitol-d₁₀ - ≥98 atom% D,≥98% , CAS No.302912-05-6

CAS: 302912-05-6 Cat. No.: D472133 분자식: DSCD₂CD(OD)CD(OD)CD₂SD 분자량: 164.31 EC 번호: 685-848-5

GRADE & PURITY ≥98 atom% D,≥98%

Synonyms

HY-15917S | DL-Dithiothreitol-d10 | ( inverted exclamation markA)-1,4-DITHIOTHREITOL-D10 | 1,4-Bis[(~2~H)sulfanyl](~2~H_6_)butane-2,3-(~2~H_2_)diol | D98389 | DTXSID00583848 | 1,1,2,3,4,4-hexadeuterio-2,3-dideuteriooxy-1,4-bis(deuteriosulfanyl)butane | J-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

동의어

HY-15917S | DL-Dithiothreitol-d10 | ( inverted exclamation markA)-1,4-DITHIOTHREITOL-D10 | 1,4-Bis[(~2~H)sulfanyl](~2~H_6_)butane-2,3-(~2~H_2_)diol | D98389 | DTXSID00583848 | 1,1,2,3,4,4-hexadeuterio-2,3-dideuteriooxy-1,4-bis(deuteriosulfanyl)butane | J-

사양 및 순도

≥98 atom% D,≥98%

보관 조건

Store at 2-8°C

배송

Wet ice

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순수함

≥98 atom% D,≥98%

이름과 식별자

• 정식 스마일: C(C(C(CS)O)O)S
• IUPAC Name: 1,1,2,3,4,4-hexadeuterio-2,3-dideuteriooxy-1,4-bis(deuteriosulfanyl)butane
• InChIKey: VHJLVAABSRFDPM-BSSDICLPSA-N
• INCHI: 1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2/i1D2,2D2,3D,4D,5D,6D/hD2
• 이성체 SMILES: [2H]C([2H])(C([2H])(C([2H])(C([2H])([2H])S[2H])O[2H])O[2H])S[2H]
• 분자량: 164.31
• Reaxy-Rn: 9483598
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9483598&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 분류 Organooxygen compounds
      • Subclass Alcohols and polyols
        • Level5 Polyols
          • Level6 1,2-diols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Polyols
• Direct Parent: 1,2-diols
• Alternative Parents: Secondary alcohols Alkylthiols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary alcohol - 1,2-diol - Alkylthiol - Hydrocarbon derivative - Organosulfur compound - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as 1,2-diols. These are polyols containing an alcohol group at two adjacent positions.
• 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

화학 및 물리적 특성

• 발화점(°F): Not applicable
• 발화점(°C): Not applicable
• 녹는점(°C): 42-44℃ (lit.)
• 분자량: 164.300 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 164.075 Da
• Monoisotopic Mass: 164.075 Da
• Topological Polar Surface Area: 42.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 52.000
• Isotope Atom Count: 10
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1