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62211-03-4

Basic Information
CAS No.: 62211-03-4
Name: CALCIUM SENNOSIDE
Molecular Structure:
Molecular Structure of 62211-03-4 (CALCIUM SENNOSIDE)
Formula: C42H36CaO20
Molecular Weight: 900.8012
Synonyms: [9,9'-Bianthracene]-2,2'-dicarboxylicacid, 5,5'-bis(β-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-,calcium salt (1:1), (R*,R*)-;Pursennid;Pursennide;[9,9'-Bianthracene]-2,2'-dicarboxylicacid, 5,5'-bis(β-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-,calcium salt (1:1), (9R,9'R)-rel-;
EINECS: 263-461-9
Boiling Point: 1144.8 °C at 760 mmHg
Flash Point: 348.6 °C
PSA: 307.50000
LogP: -0.57740
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    Hubei Jusheng Technology Co., Ltd., is a large group corporation which engaged in the R&D and manufacture of chemicals, Pharmaceuticals and intermediates. We have earned ourselves

  • Hubei Jusheng Technology Co., Ltd.,

     China (Mainland)  |  Contact Details

    Business Type:Trading Company

    Tel:+86-18871490254

    Address:High-tech Industrial Park,Tianmen city,Hubei province.

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  • TIANFU-CHEM CALCIUM SENNOSIDE

  • Casno:

    62211-03-4

    TIANFU-CHEM CALCIUM SENNOSIDE

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    We are a trading company aiming at providing high-quality services to customers. Established for many years, with good reputation in the industry Storage:Sealed and preserved Application:Fine chemical intermediates, used as the main raw material for

    Our company has been engaged in the Pharmaceutical raw material and pharmaceutical intermediates medicine material intermediates and related chemical industry for more than ten ye

  • Taizhou volsen chemical Co., Ltd

     China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:+86-576-88869393

    Address:Jiaojiang District, Taizhou, Zhejiang, China.

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  • 62211-03-4

  • Casno:

    62211-03-4

    62211-03-4

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    TIANFU-CHEM CALCIUM SENNOSIDE Application:Industrial Grade

    We are Hebei minshang biotechnology co. LTD., mainly deal in pharmaceutical intermediates and various chemicals. We are manufacturers and have our own factory. Products & Usage Ph

  • Hebei Minshang Biotechnology Co., Ltd

    China (Mainland)  |  Contact Details

    Business Type:Trading Company

    Tel:18032092709

    Address:hebei

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  • Sennoside Ca

  • Casno:

    62211-03-4

    Sennoside Ca

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    Sennoside Ca Storage:Store in dry and cool condition Package:25kg or according to cutomer's demand Application:Chemical research/Pharmaceutical intermediates Transportation:By Sea,by Air,By courier like DHL or Fedx. Port:Shanghai/Shenzhen

    Nanjing Raymon Biotech Co., Ltd. is specialized in developing and marketing middle & high level pharmaceutical intermediates. We are supplying different categories of high-quality

  • Nanjing Raymon Biotech Co., Ltd.

     China (Mainland)  |  Contact Details

    Business Type:Trading Company

    Tel:86-025-52181296

    Address:Block B, No. 918, Shuanglong Avenue

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Specification

The Sennoside Ca, with the CAS registry number of 62211-03-4, is also known as [9, 9'-Bianthracene]-2, 2'-dicarboxylicacid, 5, 5'-bis(β-D-glucopyranosyloxy)-9, 9', 10, 10'-tetrahydro-4, 4'-dihydroxy-10, 10'-dioxo-, calcium salt (1:1), (9R, 9'R)-rel-. Its EINECS registry number is 263-461-9. This chemical's molecular formula is C42H36CaO20 and molecular weight is 900.8012. What's more, its IUPAC name is Calcium 9-[2-carboxylato-4-hydroxy-10-oxo-5-[(2S, 3R, 4S, 5S, 6R)-3, 4, 5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[(2S, 3R, 4S, 5S, 6R)-3, 4, 5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylate.

Physical properties about Sennoside Ca are: (1)ACD/LogP: 1.88; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -1.74; (4)ACD/LogD (pH 7.4): -2.42; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 20; (10)#H bond donors: 12; (11)#Freely Rotating Bonds: 19; (12)Polar Surface Area: 237.96 Å2; (13)Flash Point: 348.6 °C; (14)Enthalpy of Vaporization: 176.89 kJ/mol; (15)Boiling Point: 1144.8 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [Ca+2].[O-]C(=O)c3cc(O)c4C(=O)c2c(cccc2O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(c4c3)C8c6c(c(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO)ccc6)C(=O)c7c8cc(C([O-])=O)cc7O
(2) InChI: InChI=1/C42H38O20.Ca/c43-11-23-31(47)35(51)37(53)41(61-23)59-21-5-1-3-15-25(17-7-13(39(55)56)9-19(45)27(17)33(49)29(15)21)26-16-4-2-6-22(60-42-38(54)36(52)32(48)24(12-44)62-42)30(16)34(50)28-18(26)8-14(40(57)58)10-20(28)46;/h1-10,23-26,31-32,35-38,41-48,51-54H,11-12H2,(H,55,56)(H,57,58);/q;+2/p-2/t23-,24-,25?,26?,31-,32-,35+,36+,37-,38-,41-,42-;/m1./s1
(3) InChIKey: JQVYZJIFFAHQKX-BCHDNCRXBY