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8-hydroxy-14-(2-hydroxy-3,4-dimethoxyphenyl)-4,10-dioxa-15,16-dithia-11,18-diazapentacyclo[11.3.2.0¹,¹¹.0³,?.0³,?]octadec-6-ene-12,17-dione

8-hydroxy-14-(2-hydroxy-3,4-dimethoxyphenyl)-4,10-dioxa-15,16-dithia-11,18-diazapentacyclo[11.3.2.0¹,¹¹.0³,?.0³,?]octadec-6-ene-12,17-dione

CAS: 83912-90-7

Formula: C20H20N2O8S2

SMILES: COC1=CC=C(C2SSC34CC56OC5C=CC(O)C6ON3C(=O)C2NC4=O)C(O)=C1OC

IUPAC: 8-hydroxy-14-(2-hydroxy-3,4-dimethoxyphenyl)-4,10-dioxa-15,16-dithia-11,18-diazapentacyclo[11.3.2.0¹,¹¹.0³,?.0³,?]octadec-6-ene-12,17-dione

InChI: InChI=1/C20H20N2O8S2/c1-27-10-5-3-8(13(24)14(10)28-2)15-12-17(25)22-20(32-31-15,18(26)21-12)7-19-11(29-19)6-4-9(23)16(19)30-22/h3-6,9,11-12,15-16,23-24H,7H2,1-2H3,(H,21,26)

Composition: C (49.99%), H (4.20%), N (5.83%), O (26.64%), S (13.34%)

Molar Mass: 480.51

Atom Count: 52

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 7
Exact Mass 480.06610796
Formal Charge 0
FSP3 0.5
Hetero Ring Count 4
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 3
InChIKey VZUFPCHAVLFFAY-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 113.68
Topological Polar Surface Area 130.09
Polarizability 45.01
Ring Count 6
Rotatable Bond Count 3

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Purity LeadTime CAS UnitPrice
95% <2 Days 83912-90-7 Quote Only