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Respinomycin A1

CAT: 0013-GTR19256291-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19256291-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Respinomycin A1 is an antibiotic found in the Streptomyces sp. RK-483 strain. It has the capability to induce differentiation in leukemia K-562 cells.
CAS Number
138843-19-3
Field of Research
Infectious Disease & Virology
Smiles
O=C1C2=CC=C3C (OC4OC3 (C) C (OC5OC (C) C (OC6OC (C) C (O) C (O) (C) C6OC) C (N) (C) C5) C (N (C) C) C4O) =C2C (=O) C=7C (O) =C8C (=CC17) CC (O) (C) C (OC) C8OC9OC (C) C (O) C (O) (C) C9OC
Molecular Formula
C51H72N2O20
Molecular Weight
1033.12
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Respinomycin A1

from Streptomyces sp. RK-483; structure given in first source

CAS Number138843-19-3
PubChem CID164411
IUPAC Name24-[4-amino-5-(4,5-dihydroxy-3-methoxy-4,6-dimethyloxan-2-yl)oxy-4,6-dimethyloxan-2-yl]oxy-13-(4,5-dihydroxy-3-methoxy-4,6-dimethyloxan-2-yl)oxy-23-(dimethylamino)-11,15,22-trihydroxy-12-methoxy-1,11-dimethyl-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2(19),3,5(18),7(16),8,14-hexaene-6,17-dione
Molecular FormulaC51H72N2O20
Molecular Weight1033.1
XLogP-0.8
Topological Polar Surface Area307
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count22
Rotatable Bond Count10
Heavy Atom Count73
Formal Charge0
Complexity2040
SMILES
CC1C(C(C(C(O1)OC2C(C(CC3=CC4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC6=C5OC7C(C(C(C6(O7)C)OC8CC(C(C(O8)C)OC9C(C(C(C(O9)C)O)(C)O)OC)(C)N)N(C)C)O)(C)O)OC)OC)(C)O)O
InChI
InChI=1S/C51H72N2O20/c1-19-37(58)49(6,61)42(64-12)45(67-19)71-36-27-22(17-48(5,60)41(36)63-11)16-24-28(32(27)55)33(56)29-23(31(24)54)14-15-25-35(29)70-44-34(57)30(53(9)10)40(51(25,8)73-44)69-26-18-47(4,52)39(21(3)66-26)72-46-43(65-13)50(7,62)38(59)20(2)68-46/h14-16,19-21,26,30,34,36-46,55,57-62H,17-18,52H2,1-13H3
InChIKey
SIBIUPQXDIJVOG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Respinomycin A1
CAS: 138843-19-3
CID: 164411
Formula: C51H72N2O20
MW: 1033.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1033.1
XLogP3-0.8
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count22
Rotatable Bond Count10
Exact Mass1032.46784269
Monoisotopic Mass1032.46784269
Topological Polar Surface Area307 Ų
Heavy Atom Count73
Formal Charge0
Complexity2040
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count22
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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