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468-44-0

Basic Information
CAS No.: 468-44-0
Name: Gibberellin A4
Article Data: 10
Molecular Structure:
Molecular Structure of 468-44-0 (Gibberellin A4)
Formula: C19H24O5
Molecular Weight: 332.397
Synonyms: 4aa,4bb-Gibbane-1a,10b-dicarboxylic acid, 2b,4a-dihydroxy-1-methyl-8-methylene-,1,4a-lactone (8CI);Gibberellin A4 (7CI);GA4;
EINECS: 207-406-9
Density: 1.376 g/cm3
Melting Point: 201 - 205oC
Boiling Point: 574.191 °C at 760 mmHg
Flash Point: 210.438 °C
Appearance: white crystals
PSA: 83.83000
LogP: 2.13620
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    Wuhan MoonZY Biological Technology Co.,Ltd (MoonzyBio)is located in Wuhan city,hubei province,China,we have a group of senior technical backbones, specialized in R & D and sales in

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     China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:13545198479

    Address:203,Building 3, International Enterprise Center, No. 1 Guanshan 2nd Road, East Lake New Technology Development Zone,

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Specification

The Gibberellin A4, with CAS registry number 468-44-0, belongs to the following product categories: (1)Fine Chemical & Intermediates; (2)Antibiotic Explorer; (3)Miscellaneous Plant Growth Regulators; (4)Plant Growth Regulators; (5)Plant Tissue Culture. It has the systematic name of (1S,2S,4aR,4bR,7R,9aR,10S,10aR)-2-hydroxy-1-methyl-8-methylidene-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid. This chemical should be stored at the temperature of −20°C.

Physical properties of Gibberellin A4: (1)ACD/LogP: 0.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 10; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 83.83 Å2; (13)Index of Refraction: 1.615; (14)Molar Refractivity: 84.309 cm3; (15)Molar Volume: 241.511 cm3; (16)Polarizability: 33.423×10-24cm3; (17)Surface Tension: 60.108 dyne/cm; (18)Density: 1.376 g/cm3; (19)Flash Point: 210.438 °C; (20)Enthalpy of Vaporization: 98.804 kJ/mol; (21)Boiling Point: 574.191 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)[C@@H]3[C@]51C[C@@H](CC[C@H]1[C@@]24CC[C@H](O)[C@@](C)(C(=O)O2)[C@@H]34)C(=C)C5
(2)InChI: InChI=1/C19H24O5/c1-9-7-18-8-10(9)3-4-11(18)19-6-5-12(20)17(2,16(23)24-19)14(19)13(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22)/t10-,11-,12+,13-,14-,17-,18+,19-/m1/s1
(3)InChIKey: RSQSQJNRHICNNH-NFMPGMCNBU
(4)Std. InChI: InChI=1S/C19H24O5/c1-9-7-18-8-10(9)3-4-11(18)19-6-5-12(20)17(2,16(23)24-19)14(19)13(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22)/t10-,11-,12+,13-,14-,17-,18+,19-/m1/s1
(5)Std. InChIKey: RSQSQJNRHICNNH-NFMPGMCNSA-N