9H-fluoren-9-ylmethyl N-[(5S,6R)-2,2,3,3,9,9,10,10-octamethyl-5-[(1E)-pentadec-1-en-1-yl]-4,8-dioxa-3,9-disilaundecan-6-yl]carbamate

• ChemBase ID: 162210
• Molecular Formular: C45H75NO4Si2
• Molecular Mass: 750.2523
• Monoisotopic Mass: 749.52346295
• SMILES: O(C[C@H]([C@H](/C=C/CCCCCCCCCCCCC)O[Si](C)(C)C(C)(C)C)NC(=O)OCC1c2c(c3c1cccc3)cccc2)[Si](C)(C)C(C)(C)C
• Canonical SMILES: CCCCCCCCCCCCC/C=C/[C@@H]([C@H](NC(=O)OCC1c2ccccc2c2c1cccc2)CO[Si](C(C)(C)C)(C)C)O[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C45H75NO4Si2/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-33-42(50-52(10,11)45(5,6)7)41(35-49-51(8,9)44(2,3)4)46-43(47)48-34-40-38-31-27-25-29-36(38)37-30-26-28-32-39(37)40/h24-33,40-42H,12-23,34-35H2,1-11H3,(H,46,47)/b33-24+/t41-,42+/m1/s1
• InChIKey: GXEGXEJUOLHCLH-MRMDQXSKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9H-fluoren-9-ylmethyl N-[(5S,6R)-2,2,3,3,9,9,10,10-octamethyl-5-[(1E)-pentadec-1-en-1-yl]-4,8-dioxa-3,9-disilaundecan-6-yl]carbamate
• IUPAC Traditional name: 9H-fluoren-9-ylmethyl N-[(5S,6R)-2,2,3,3,9,9,10,10-octamethyl-5-[(1E)-pentadec-1-en-1-yl]-4,8-dioxa-3,9-disilaundecan-6-yl]carbamate
• Synonyms: 1,3-Bis-(o-tert-butyldimethylsilyl)-Fmoc D-erythro-Sphingosine

Database IDs

• PubChem SID: 162256345
• PubChem CID: 45038360

CALCULATED PROPERTIES

• Acid pKa: 14.1100855
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 13.3546
• LogD (pH = 7.4): 13.3546
• Log P: 13.3546
• Molar Refractivity: 215.668 cm^3
• Polarizability: 90.29253 Å^3
• Polar Surface Area: 56.79 Å^2
• Rotatable Bonds: 25
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Chloroform; Hexanes
• Apperance: Yellowish Oil

DETAILS

Toronto Research Chemicals - B415280

Protected Sphingosine.