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TP-2857

CAT: 0127-BUP07903-03Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP07903-03Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1575491-01-8
Synonyms
TAP2857
Purity
=98%
Smiles
O([Si](C(C)(C)C)(C)C)[C@]12[C@]([C@H](N(CC)CC)C3=C(C1=O)C(OCC4=CC=CC=C4)=NO3)(CC=CC2=O)[H]

Chemical Information

Naphth[2,3-d]isoxazole-4,5(4aH,8H)-dione, 9-(diethylamino)-4a-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-8a,9-dihydro-3-(phenylmethoxy)-, (4aS,8aS,9S)-
CAS Number1575491-01-8
PubChem CID125496433
IUPAC Name(4aS,8aS,9S)-4a-[tert-butyl(dimethyl)silyl]oxy-9-(diethylamino)-3-phenylmethoxy-8a,9-dihydro-8H-benzo[f][1,2]benzoxazole-4,5-dione
Molecular FormulaC28H38N2O5Si
Molecular Weight510.7
Topological Polar Surface Area81.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count36
Formal Charge0
Complexity845
SMILES
CCN(CC)[C@H]1[C@@H]2CC=CC(=O)[C@@]2(C(=O)C3=C1ON=C3OCC4=CC=CC=C4)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C28H38N2O5Si/c1-8-30(9-2)23-20-16-13-17-21(31)28(20,35-36(6,7)27(3,4)5)25(32)22-24(23)34-29-26(22)33-18-19-14-11-10-12-15-19/h10-15,17,20,23H,8-9,16,18H2,1-7H3/t20-,23-,28-/m0/s1
InChIKey
LQNXUCJZFHOSCM-GTFGCAHESA-N
Chemical Structure
2D Structure
2D structure of Naphth[2,3-d]isoxazole-4,5(4aH,8H)-dione, 9-(diethylamino)-4a-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-8a,9-dihydro-3-(phenylmethoxy)-, (4aS,8aS,9S)-
CAS: 1575491-01-8
CID: 125496433
Formula: C28H38N2O5Si
MW: 510.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight510.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass510.25499885
Monoisotopic Mass510.25499885
Topological Polar Surface Area81.9 Ų
Heavy Atom Count36
Formal Charge0
Complexity845
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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