Troxacitabine - ≥99% , CAS No.145918-75-8

CAS: 145918-75-8 Cat. No.: T1070109 분자식: C₈H₁₁N₃O₄ 분자량: 213.19 PubChem CID: 454194

GRADE & PURITY ≥99%

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

사양 및 순도

≥99%

보관 조건

Store at 2-8°C,Protected from light

배송

Wet ice

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

순수함

≥99%

제품 특성

• ALogP: -1.7

이름과 식별자

• 정식 스마일: C1C(OC(O1)CO)N2C=CC(=NC2=O)N
• IUPAC Name: 4-amino-1-[(2S,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one
• InChIKey: RXRGZNYSEHTMHC-BQBZGAKWSA-N
• INCHI: 1S/C8H11N3O4/c9-5-1-2-11(8(13)10-5)6-4-14-7(3-12)15-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7-/m0/s1
• 이성체 SMILES: C1[C@H](O[C@H](O1)CO)N2C=CC(=NC2=O)N
• 대체 CAS: 145918-75-8
• PubChem CID: 454194
• MeSH 용어: (2S-cis)-4-amino-1-(2-(hydroxymethyl)-1,3-dioxolan-4-yl)-2(1H)-pyrimidinone;1-(2-(hydroxymethyl)-1,3-dioxolan-4-yl)cytosine;2R(-)-cis-HMD-cytosine;2R(-)-trans-HMD-cytosine;2S(-)-cis-HMD-cytosine;BCH 4556;BCH-4556;beta-L-dioxolane-cytidine;HMD-cytosine;tro
• 분자량: 213.19

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • 분류 Nucleoside and nucleotide analogues

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• 분류: Nucleoside and nucleotide analogues
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Nucleoside and nucleotide analogues
• Alternative Parents: Pyrimidones Aminopyrimidines and derivatives Imidolactams Hydropyrimidines Heteroaromatic compounds 1,3-dioxolanes Oxacyclic compounds Azacyclic compounds Acetals Primary amines Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminopyrimidine - Pyrimidone - Hydropyrimidine - Pyrimidine - Imidolactam - Meta-dioxolane - Heteroaromatic compound - Acetal - Oxacycle - Organoheterocyclic compound - Azacycle - Organic oxide - Primary amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Alcohol - Amine - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as nucleoside and nucleotide analogues. These are analogues of nucleosides and nucleotides. These include phosphonated nucleosides, C-glycosylated nucleoside bases, analogues where the sugar unit is a pyranose, and carbocyclic nucleosides, among others.
• 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

• 분자량: 213.190 g/mol
• XLogP3: -1.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 213.075 Da
• Monoisotopic Mass: 213.075 Da
• Topological Polar Surface Area: 97.400 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 328.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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