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111745-19-8

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Basic Information
CAS No.: 111745-19-8
Name: hyaluronic acid ethyl ester
Molecular Structure:
Molecular Structure of 111745-19-8 (hyaluronic acid ethyl ester)
Formula: C45H84N12
Molecular Weight: 793.22886
Synonyms: Hyaluronic acid ethyl ester;Ethyl hyaluronate;Hyaff 7;Hyaluronic acid, ethyl ester;
PSA: 0.00000
LogP: 0.00000
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Chemistry

Molecular Structure of Hyaluronic acid,ethyl ester (CAS NO.111745-19-8):

IUPAC Name: N-[4-(Diethylamino)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)-[(2,2,6,6-tetramethylpiperidin-4-yl)iminomethyl]amino]-1,3,5-triazin-2-yl]-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)methanimidamide 
Molecular Weight: 793.22886 [g/mol]
Molecular Formula: C45H84N12
XLogP3-AA: 6.2
H-Bond Donor: 4
H-Bond Acceptor: 12
Rotatable Bond Count: 11
Exact Mass: 792.694191
MonoIsotopic Mass: 792.694191
Topological Polar Surface Area: 121
Heavy Atom Count: 57
Complexity: 1250 
Canonical SMILES: CCN(CC)C1=NC(=NC(=N1)N(C=NC2CC(NC(C2)(C)C)(C)C)C3CC(NC(C3)(C)C)(C)C)N(C=NC4CC(NC(C4)(C)C)(C)C)C5CC(NC(C5)(C)C)(C)C
InChI: InChI=1S/C45H84N12/c1-19-55(20-2)35-48-36(56(33-25-42(11,12)53-43(13,14)26-33)29-46-31-21-38(3,4)51-39(5,6)22-31)50-37(49-35)57(34-27-44(15,16)54-45(17,18)28-34)30-47-32-23-40(7,8)52-41(9,10)24-32/h29-34,51-54H,19-28H2,1-18H3
InChIKey: JZVDGAMNKMBSCN-UHFFFAOYSA-N

Specification

  Hyaluronic acid,ethyl ester (CAS NO.111745-19-8), its Synonyms are Ethyl hyaluronate ; Hyaff 7 ; Hyaluronic acid ethyl ester .