Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Sweeteners  /  Pharmaceutical Intermediates  /  Food Additives  /  Pharmaceutical  /  Organic Intermediate
Pyrrolo[3,4-b]pyrrole, octahydro-5-(methylsulfonyl)- structure
Pyrrolo[3,4-b]pyrrole, octahydro-5-(methylsulfonyl)- structure

Pyrrolo[3,4-b]pyrrole, octahydro-5-(methylsulfonyl)-

Iupac Name:(2R,3R,4R,5R,6R)-2-[(2R,3S,4S,5S)-2,5-bis(chloromethyl)-3,
4-dihydroxyoxolan-2-yl]oxy-5-chloro-6-(hydroxymethyl)oxane-3,4-diol
CAS No.:56038-13-2
Molecular Weight:397.63346
1. Names and Identifiers
1.1 Name
Pyrrolo[3,4-b]pyrrole, octahydro-5-(methylsulfonyl)-
1.2 CAS No.
56038-13-2
1.3 CID
71485
1.4 Inchi
InChI=1S/C12H19Cl3O8/c13-1-4-7(17)10(20)12(3-14,22-4)23-11-9(19)8(18)6(15)5(2-16)21-11/h4-11,16-20H,1-3H2/t4-,5-,6+,7-,8+,9-,10+,11-,12+/m1/s1
1.5 InChkey
BAQAVOSOZGMPRM-QBMZZYIRSA-N
1.6 Canonical Smiles
C(C1C(C(C(C(O1)OC2(C(C(C(O2)CCl)O)O)CCl)O)O)Cl)O
1.7 Isomers Smiles
C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CCl)O)O)CCl)O)O)Cl)O
2. Properties
3.1 Melting point
125.5 °C
3.1 Refractive index
1.604
3.1 Vapour pressure
3.25X10-14 mm Hg at 25 deg C (est)
3.1 Precise Quality
396.01500
3.1 PSA
128.84000
3.1 logP
-1.65610
3. Safety and Handling
4.1 Risk Statements
R36/37/38
4.1 Safety Statements
26-37/39
4.1 RIDADR
NONH for all modes of transport
4.1 WGK Germany
3
4.1 RTECS
LW5440140
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight:397.63346g/mol
  • Molecular Formula:
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:396.014551
  • Monoisotopic Mass:396.014551
  • Complexity:405
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:5
  • Hydrogen Bond Acceptor Count:8
  • Topological Polar Surface Area:129
  • Heavy Atom Count:23
  • Defined Atom Stereocenter Count:9
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
6. Question & Answer
7. Recommended Suppliers
Global607SuppliersView all >>
  • Products:API
  • Tel:0086-27-59207850
  • Email:info@fortunachem.com
Manufacturer supply sweetener Sucralose 56038-13-2 of USP/FCC standard
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 90 USD/kilogram
  • Time: 2022/05/23
Inquire
  • Products:5413-05-8 Ethyl 2-phenylacetoacetate; 16648-44-5 BMK powder; 13605-48-6 Pmk glycidate; 79099-07-3 N-BOC-4-piperidone; 49851-31-2 2-bromo-1-phenylpentan-1-one; 288573-56-8
  • Tel:86-27-18672397182
  • Email:Selena@hanhong-api.com
Hot Sale Food Additive Sucralose Powder Sucralose Powder
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 15 USD/kilogram
  • Time: 2022/05/23
Inquire
  • Products:electronic chemicals; pharmaceutical intermediates;pesticide intermediates;ultraviolet absorbent; food additives
  • Tel:86-173-54350817
  • Email:Ryan@jiutian-bio.com
Sucralose 56038-13-2 High quality with lower price
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/kilogram
  • Time: 2022/05/13
Inquire
  • Products:biotechnology pharmaceutical intermediates biotechnology medical intermediates
  • Tel:0086-0310-15343106358
  • Email:guide@cnyouze.com
Sucralose CAS 56038-13-2 1',4,6'-Trichlorogalactosucrose
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 12 USD/kg
  • Time: 2022/05/09
Inquire
  • Products:Cosmetic Raw Materials,solvents,etc.
  • Tel:86-311-66562153
  • Email:breeduan@crovellbio.com
Raw Material Sucralose Food Grade Sweeteners CAS 56038-13-2 by Safety Deliver
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/kilogram
  • Time: 2022/05/05
Inquire