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853904-68-4

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Basic Information
CAS No.: 853904-68-4
Name: 3’-Hydroxy Stanozolol-d5
Molecular Structure:
Molecular Structure of 853904-68-4 (3’-Hydroxy Stanozolol-d5)
Formula: C21H27D5N2O2
Molecular Weight: 349.5218
Synonyms: (1S, 3αS, 3βR, 5αS, 10αS, 10βS, 12αS)-1-Hydroxy-10α, 12α-dimethyl-1-(2H3)methyl(2, 2-2H2)-2, 3, 3α, 3β, 4, 5, 5α, 6, 7, 8, 10, 10α, 10β, 11, 12, 12α-hexadecahydrocyclopenta[5, 6]naphtho[1, 2-f]indazol-9(1H)-one;
Density: 1.222 g/cm3
Melting Point: 280-282°C (dec.)
PSA: 69.14000
LogP: 3.82370
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Specification

The 3'-Hydroxy Stanozolol-d5 has CAS registry number 853904-68-4. This chemical's molecular formula is C21H27D5N2O2 and molecular weight is 349.5218. What's more, its systematic name is (1S, 3αS, 3βR, 5αS, 10αS, 10βS, 12αS)-1-Hydroxy-10α, 12α-dimethyl-1-(2H3)methyl(2, 2-2H2)-2, 3, 3α, 3β, 4, 5, 5α, 6, 7, 8, 10, 10α, 10β, 11, 12, 12α-hexadecahydrocyclopenta[5, 6]naphtho[1, 2-f]indazol-9(1H)-one.

Physical properties about 3'-Hydroxy Stanozolol-d5 are: (1)ACD/LogP: 3.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 2441; (6)ACD/BCF (pH 7.4): 2441; (7)ACD/KOC (pH 5.5): 9255; (8)ACD/KOC (pH 7.4): 9255; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 61.36 Å2; (13)Index of Refraction: 1.597; (14)Molar Refractivity: 97.416 cm3; (15)Molar Volume: 285.946 cm3; (16)Surface Tension: 50.792 dyne/cm; (17)Density: 1.222 g/cm3.

You can still convert the following datas into molecular structure:
(1) SMILES: [2H]C([2H])([2H])[C@]5(O)C([2H])([2H])C[C@H]4[C@H]3[C@@H]([C@]2(CC\1=C(\NNC/1=O)C[C@@H]2CC3)C)CC[C@@]45C
(2) InChI: InChI=1/C21H32N2O2/c1-19-11-14-17(22-23-18(14)24)10-12(19)4-5-13-15(19)6-8-20(2)16(13)7-9-21(20,3)25/h12-13,15-16,25H,4-11H2,1-3H3,(H2,22,23,24)/t12-,13+,15-,16-,19-,20-,21-/m0/s1/i3D3,9D2
(3) InChIKey: SWPAIUOYLTYQKK-FYZHOQFBFQ