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Altromycin D

CAT: 0013-GTR19199518Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19199518Size:25 mg
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Description
Altromycin D
CAS Number
128461-01-8
Field of Research
Infectious Disease & Virology
Smiles
O=C1C=C (OC=2C=3C (=O) C4=C (O) C (=CC=C4C (=O) C3C=C (C12) C (O) (C (=O) OC) C5OC (C) C (O) C (OC) C5) C6OC (C) C (OC7OC (C) C (O) C (OC) C7) C (N (C) C) (C) C6) C8 (OC8C) C
Molecular Formula
C47H59NO17
Molecular Weight
909.97
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Altromycin D

Altromycin D is a glycoside and a benzochromenone.

CAS Number128461-01-8
PubChem CID195572
IUPAC Namemethyl 2-[10-[4-(dimethylamino)-5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4,6-dimethyloxan-2-yl]-2-(2,3-dimethyloxiran-2-yl)-11-hydroxy-4,7,12-trioxonaphtho[2,3-h]chromen-5-yl]-2-hydroxy-2-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)acetate
Molecular FormulaC47H59NO17
Molecular Weight910.0
XLogP2
Topological Polar Surface Area239
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count18
Rotatable Bond Count11
Heavy Atom Count65
Formal Charge0
Complexity1880
SMILES
CC1C(C(CC(O1)C(C2=C3C(=O)C=C(OC3=C4C(=C2)C(=O)C5=C(C4=O)C(=C(C=C5)C6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)(C)N(C)C)O)C8(C(O8)C)C)(C(=O)OC)O)OC)O
InChI
InChI=1S/C47H59NO17/c1-19-37(50)28(57-9)16-32(61-19)47(56,44(55)59-11)26-14-25-35(42-36(26)27(49)15-31(63-42)46(6)22(4)65-46)41(54)34-24(39(25)52)13-12-23(40(34)53)30-18-45(5,48(7)8)43(21(3)60-30)64-33-17-29(58-10)38(51)20(2)62-33/h12-15,19-22,28-30,32-33,37-38,43,50-51,53,56H,16-18H2,1-11H3
InChIKey
CSPDCSMLEJFUJJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Altromycin D
CAS: 128461-01-8
CID: 195572
Formula: C47H59NO17
MW: 910.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight910.0
XLogP32
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count18
Rotatable Bond Count11
Exact Mass909.37829941
Monoisotopic Mass909.37829941
Topological Polar Surface Area239 Ų
Heavy Atom Count65
Formal Charge0
Complexity1880
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count15
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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T25062Altromycin B

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