Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Others  /  Auxiliaries and Other Medicinal Chemical...  /  Pharmaceutical Intermediates
BAS 00120583 structure
BAS 00120583 structure

BAS 00120583

Iupac Name:[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,4S,5R,9S,10R,13S)-13-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
CAS No.: 127345-21-5
Molecular Weight:804.9
Modify Date.: 2021-08-31 21:47
1. Names and Identifiers
1.1 Name
BAS 00120583
1.2 Synonyms

AC1MJGNP AKOS001668503 AKOS016047297 c11h13no3s2 EU-0080063 HMS1676P19 MCULE-4930547302 MOLPORT-000-393-070 n-(1,1-dioxothiolan-3-yl)phenylthiocarboxamide OPREA1_091506 OPREA1_411269 s-phenyl (1,1-dioxidotetrahydro-3-thienyl)thiocarbamate s-phenyl (1,1-dioxidotetrahydrothiophen-3-yl)carbamothioate s-phenyl n-(1,1-dioxothiolan-3-yl)carbamothioate ST50179674 STL323641 STOCK1S-22538

1.3 CAS No.
127345-21-5
1.4 CID
21591681
1.5 Molecular Formula
C14H21N3O3S (isomer)
1.6 Inchi
InChI=1S/C38H60O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34(50)55-32-28(48)26(46)23(43)18(13-40)52-32)21(37)6-10-38(16,15-37)56-33-29(49)30(24(44)19(14-41)53-33)54-31-27(47)25(45)22(42)17(12-39)51-31/h17-33,39-49H,1,4-15H2,2-3H3/t17-,18-,19-,20+,21+,22-,23-,24-,25+,26+,27-,28-,29-,30+,31+,32+,33+,35-,36-,37-,38+/m1/s1
1.7 InChkey
OKPSCKUJXYCMPR-GXTBKCSKSA-N
1.8 Canonical Smiles
CC12CCCC(C1CCC34C2CCC(C3)(C(=C)C4)OC5C(C(C(C(O5)CO)O)OC6C(C(C(C(O6)CO)O)O)O)O)(C)C(=O)OC7C(C(C(C(O7)CO)O)O)O
1.9 Isomers Smiles
C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)(C)C(=O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O
2. Computational chemical data
  • Molecular Weight: 804.9g/mol
  • Molecular Formula: C14H21N3O3S
  • Compound Is Canonicalized: True
  • XLogP3-AA: _1.2
  • Exact Mass: 804.37796506
  • Monoisotopic Mass: 804.37796506
  • Complexity: 1450
  • Rotatable Bond Count: 10
  • Hydrogen Bond Donor Count: 11
  • Hydrogen Bond Acceptor Count: 18
  • Topological Polar Surface Area: 295
  • Heavy Atom Count: 56
  • Defined Atom Stereocenter Count: 21
  • Undefined Atom Stereocenter Count: 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 1
3. Recommended Suppliers
Global7SuppliersView all >>
  • Products:API,Pharmaceutical intermediates, food additives, plant extracts,cosmetics,fine chemicals,reagents
  • Tel:+86-571-88216897
Rebaudioside G
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/gram
  • Time: 2022/04/24
Inquire
  • Tel:+86-21-51320588 ext. 8025
Rebaudioside G
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/11/25
Inquire
  • Tel:86-28-85142057
Rebaudioside G
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/02/23
Inquire
Rebaudioside G
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/02/25
Inquire
Resibufogenin
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/02/23
Inquire