(2'R,4'S,7'R,9'R,10'R,11'S)-4',10',11'-tris(acetyloxy)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.02,7]dodecan]-5'-en-2'-ylmethyl acetate

• ChemBase ID: 132250
• Molecular Formular: C23H30O10
• Molecular Mass: 466.4783
• Monoisotopic Mass: 466.18389716
• SMILES: CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)C)(C1([C@@H]([C@H]([C@H](C31CO3)O2)OC(=O)C)OC(=O)C)C)COC(=O)C
• Canonical SMILES: CC(=O)OC[C@]12C[C@H](OC(=O)C)C(=C[C@H]1O[C@H]1C3(C2(C)[C@H](OC(=O)C)[C@H]1OC(=O)C)OC3)C
• InChI: InChI=1S/C23H30O10/c1-11-7-17-22(9-28-12(2)24,8-16(11)30-13(3)25)21(6)19(32-15(5)27)18(31-14(4)26)20(33-17)23(21)10-29-23/h7,16-20H,8-10H2,1-6H3/t16-,17+,18+,19+,20+,21?,22+,23?/m0/s1
• InChIKey: GSLBJZJTYRGQOS-RHENDNBISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2'R,4'S,7'R,9'R,10'R,11'S)-4',10',11'-tris(acetyloxy)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0^2,^7]dodecan]-5'-en-2'-ylmethyl acetate
• IUPAC Traditional name: (2'R,4'S,7'R,9'R,10'R,11'S)-4',10',11'-tris(acetyloxy)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0^2,^7]dodecan]-5'-en-2'-ylmethyl acetate
• Synonyms: T-2 tetraol tetraacetate; 3α,4β,8α,15-四乙酰氧基-12,13-环氧单端孢霉-9-烯; T-2四醇四醋酸

Database IDs

• CAS Number: 65725-06-6
• PubChem SID: 162226527
• PubChem CID: 115315

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.02843936
• LogD (pH = 7.4): 0.02843936
• Log P: 0.02843936
• Molar Refractivity: 108.9182 cm^3
• Polarizability: 44.608196 Å^3
• Polar Surface Area: 126.96 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: YD0107000
• European Hazard Symbols: Highly toxic (T+)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 1
• Risk Statements: 26/27/28-36/37/38
• Safety Statements: 22-36/37/39-45
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H300-H310-H315-H319-H330-H335
• GHS Precautionary statements: P260-P264-P280-P284-P302 + P350-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 1
• Storage Temperature: -20°C

DETAILS

Sigma Aldrich - T0147

Warning
极度危害！在使用本品前，务必注意潜在的危险并熟悉安全规程。