모노아세톤 포도당 - ≥98% , CAS No.18549-40-1

CAS: 18549-40-1 Cat. No.: M107888 분자식: C₉H₁₆O₆ 분자량: 220.22 Beilstein Registry Number: 82670 EC 번호: 242-420-9

등급 & 순도 ≥98%

Synonyms

1,2-O-Isopropylidene-a-d-glucofuranose | Glucofuranose, 1,2-O-isopropylidene-, alpha-D- | (2E)-1,4-dibromobut-2-ene | DS-14843 | EINECS 242-420-9 | .alpha.-D-Glucofuranose, 1,2-O-(1-methylethylidene)- | 1,2-O-Isopropylidene-alpha-D-glucofuranose, 98% | MF

Storage

Room temperature

Shipped In

보통

사양

동의어

1,2-O-Isopropylidene-a-d-glucofuranose | Glucofuranose, 1,2-O-isopropylidene-, alpha-D- | (2E)-1,4-dibromobut-2-ene | DS-14843 | EINECS 242-420-9 | .alpha.-D-Glucofuranose, 1,2-O-(1-methylethylidene)- | 1,2-O-Isopropylidene-alpha-D-glucofuranose, 98% | MF

사양 및 순도

≥98%

보관 조건

Room temperature

배송

보통

순수함

≥98%

이름과 식별자

Pubchem Sid

508806946

정식 스마일

CC1(OC2C(C(OC2O1)C(CO)O)O)C

IUPAC Name

(1R)-1-[(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol

InChIKey

BGGCXQKYCBBHAH-OZRXBMAMSA-N

INCHI

1S/C9H16O6/c1-9(2)14-7-5(12)6(4(11)3-10)13-8(7)15-9/h4-8,10-12H,3H2,1-2H3/t4-,5+,6-,7-,8-/m1/s1

이성체 SMILES

CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)[C@@H](CO)O)O)C

WGK 독일

3

분자량

220.22

Beilstein

82670

Reaxy-Rn

39247333

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=39247333&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 분류 Organooxygen compounds
      • Subclass Ethers
        • Level5 Acetals
          • Level6 Ketals

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Acetals
• Direct Parent: Ketals
• Alternative Parents: Monosaccharides Tetrahydrofurans 1,3-dioxolanes Secondary alcohols Oxacyclic compounds Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Ketal - Monosaccharide - Tetrahydrofuran - Meta-dioxolane - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Primary alcohol - Alcohol - Aliphatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as ketals. These are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals.
• 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

• 특정 회전[α]: -12° (C=1,H2O)
• 녹는점(°C): 159-160°C
• 분자량: 220.220 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 220.095 Da
• Monoisotopic Mass: 220.095 Da
• Topological Polar Surface Area: 88.400 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 243.000
• 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