Tp808

C₂₆H₃₄N₂O₅SiCAS 852821-06-8482.65 g/mol

Open in Covalent MOL file

Alkene Ether Ketone Silyl ether Tertiary amine

Properties

Molecular formula: C₂₆H₃₄N₂O₅Si
Molar mass: 482.65 g/mol
Exact mass: 482.2237 Da
logP: 4.96Crippen estimate
Polar surface area: 81.9 Å²
H-bond donors / acceptors: 0 / 7
Rotatable bonds: 6
Stereocentres: S, S, Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

852821-06-8

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

InChIKey

SLXLVVLJLQJWFG-JCWFFFCVSA-N

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

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Names and synonyms

1 names

(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

Work with Tp808

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Elsewhere

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