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1415-73-2

Basic Information
CAS No.: 1415-73-2
Name: 9(10H)-Anthracenone,10-b-D-glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)-, (10S)-
Molecular Structure:
Molecular Structure of 1415-73-2 (9(10H)-Anthracenone,10-b-D-glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)-, (10S)-)
Formula: C21H22O9
Molecular Weight: 418.39 .
Synonyms: 9(10H)-Anthracenone,10-b-D-glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)-, (S)-;Anthrone,10-glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)- (6CI,7CI);Barbaloin (8CI);Aloin A;Barbaloin A;NSC 407305;
EINECS: 215-808-0
Density: 1.647 g/cm3
Melting Point: 148-149oC
Boiling Point: 752.6 ºC at 760 mmHg
Flash Point: 268 ºC
Solubility:
Appearance: yellow powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
Transport Information:
PSA: 167.91000
LogP: -0.89120
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  • Aloin

  • Casno:

    1415-73-2

    Aloin

    Min.Order: 1 Kilogram

    FOB Price:  USD $ 0.0-0.0/Kilogram

    Henan Wising Chem specialize in sourcing the chemicals in China. We are associated with many trusted manufacturers each having different area of expertise required for meeting the needs of our local as well as overseas buyers . We have access to cu

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  • Large Production Aloin

  • Casno:

    1415-73-2

    Large Production Aloin

    Min.Order: 1 Kilogram

    FOB Price:  USD $ 100.0-100.0/Kilogram

    HangYu Chemical is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and OLED intermediates and other fine chemicals. HangYu Chemical consis

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  • barbaloin

  • Casno:

    1415-73-2

    barbaloin

    Min.Order: 1 Gram

    FOB Price:  USD $ 10.0-10.0/Gram

    Superiority: Zhejiang J&C Biological Technology Co., Limited is specialized in the production of high complex new type intermediates and chemical custom synthesis, scale-up production and rare chemicals trade. Products category is including I

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    Address:46# zhongshan road, quzhou zhejiang

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  • Aloin

  • Casno:

    1415-73-2

    Aloin

    Min.Order: 1 Gram

    FOB Price:  USD $ 1.0-1.0/Gram

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    Tel:+86 21 34943721

    Address:Room 435, 4th floor, Building 9, No. 2568 Gudai Road,Minhang District, Shanghai,

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Specification

The Aloin, with the CAS registry number 1415-73-2, has the IUPAC name of (10S)-1,8-dihydroxy-3-(hydroxymethyl)-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one. Being a kind of lemon yellow crystalline powder, it is stable and sensitive to light while incompatible with bases, and strong oxidizing agents. Besides, its product categories are including Natural Plant Extract. 

The characteristics of this chemical are as follows: (1)ACD/LogP: 1.86; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 1.84; (4)ACD/LogD (pH 7.4): 1.22; (5)ACD/BCF (pH 5.5): 14.72; (6)ACD/BCF (pH 7.4): 3.46; (7)ACD/KOC (pH 5.5): 236.44; (8)ACD/KOC (pH 7.4): 55.61; (9)#H bond acceptors: 9; (10)#H bond donors: 7; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 90.91; (13)Index of Refraction: 1.74; (14)Molar Refractivity: 102.46 cm3; (15)Molar Volume: 253.9 cm3; (16)Polarizability: 40.61×10-24 cm3; (17)Surface Tension: 99.7 dyne/cm; (18)Density: 1.647 g/cm3; (19)Flash Point: 268 °C; (20)Enthalpy of Vaporization: 115.09 kJ/mol; (21)Boiling Point: 752.6 °C at 760 mmHg; (22)Vapour Pressure: 8.48E-24 mmHg at 25°C; (23)Exact Mass: 418.126382; (24)MonoIsotopic Mass: 418.126382; (25)Topological Polar Surface Area: 168; (26)Heavy Atom Count: 30; (27)Complexity: 630.

When you are dealing with this chemical, you should be very cautious. For being a kind of chemical irritating to eyes, respiratory system and skin, it may cause inflammation to the skin or other mucous membranes. Therefore, you should wear suitable protective clothing, and if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C=C3C2C4C(C(C(C(O4)CO)O)O)O)CO)O
(2)Isomeric SMILES: C1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C=C3[C@H]2[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)CO)O
(3)InChI: InChI=1S/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2/t13-,14+,17-,19+,20-,21+/m1/s1
(4)InChIKey: AFHJQYHRLPMKHU-OSYMLPPYSA-N 

Below are the toxicity information of this chemical:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo oral 500mg/kg (500mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1298, 1935.
mouse LD50 intravenous 200mg/kg (200mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 8(2), Pg. 314, 1982.
pigeon LDLo subcutaneous 200mg/kg (200mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1298, 1935.
rabbit LDLo subcutaneous 200mg/kg (200mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1298, 1935.

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