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TP-808

CAT: 0013-GTR19160222-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19160222-01Size:200 mg
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Description
TP808 is a useful intermediate for the synthesis of diverse tetracycline antibiotics.
CAS Number
852821-06-8
Product Name Alternative
TP808 | TP-808 | TP 808
Purity
>98% (HPLC)
Smiles
CC (C) (C) [Si] (C) (C) O[C@@]12[C@@H] (CC=CC1=O) [C@@H] (c1c (C2=O) c (no1) OCc1ccccc1) N (C) C
Molecular Formula
C26H34N2O5Si
Molecular Weight
482.64
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
(4aS,8aS,9S) -3- (Benzyloxy) -4a- ((tert-butyldimethylsilyl) oxy) -9- (dimethylamino) -8a,9-dihydronaphtho[2,3-d]isoxazole-4,5 (4aH,8H) -dione

Chemical Information

(4aS,8aS,9S)-3-(benzyloxy)-4a-((tert-butyldimethylsilyl)oxy)-9-(dimethylamino)-4H,4aH,5H,8H,9H-naphtho(2,3-d)(1,2)oxazole-4,5-dione
CAS Number852821-06-8
PubChem CID11363682
IUPAC Name(4aS,8aS,9S)-4a-[tert-butyl(dimethyl)silyl]oxy-9-(dimethylamino)-3-phenylmethoxy-8a,9-dihydro-8H-benzo[f][1,2]benzoxazole-4,5-dione
Molecular FormulaC26H34N2O5Si
Molecular Weight482.6
Topological Polar Surface Area81.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity816
SMILES
CC(C)(C)[Si](C)(C)O[C@@]12[C@@H](CC=CC1=O)[C@@H](C3=C(C2=O)C(=NO3)OCC4=CC=CC=C4)N(C)C
InChI
InChI=1S/C26H34N2O5Si/c1-25(2,3)34(6,7)33-26-18(14-11-15-19(26)29)21(28(4)5)22-20(23(26)30)24(27-32-22)31-16-17-12-9-8-10-13-17/h8-13,15,18,21H,14,16H2,1-7H3/t18-,21-,26-/m0/s1
InChIKey
SLXLVVLJLQJWFG-JCWFFFCVSA-N
Chemical Structure
2D Structure
2D structure of (4aS,8aS,9S)-3-(benzyloxy)-4a-((tert-butyldimethylsilyl)oxy)-9-(dimethylamino)-4H,4aH,5H,8H,9H-naphtho(2,3-d)(1,2)oxazole-4,5-dione
CAS: 852821-06-8
CID: 11363682
Formula: C26H34N2O5Si
MW: 482.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight482.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass482.22369872
Monoisotopic Mass482.22369872
Topological Polar Surface Area81.9 Ų
Heavy Atom Count34
Formal Charge0
Complexity816
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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