Di-TBDMS-LValinol-PDI Malonate | SBID = 2745 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2: 220.58
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 19.02
Charge: 0.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 0.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C83H88N4O14Si2
M / g/mol: 1421.77622
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: Di-TBDMS-LValinol-PDI Malonate
  • Preferred Abbreviation:
  • IUPAC Name:
  • CAS:
  • CID: -1222
  • InChiKey: QTBZKPCMENETNL-UHFFFAOYSA-N
  • InChi: InChI=1S/C83H88N4O14Si2/c1-40(2)60(84-74(90)52-27-19-44-48-23-31-56-72-57(32-24-49(68(48)72)45-20-28-53(75(84)91)70(52)66(44)45)79(95)86(78(56)94)62(42(5)6)38-100-102(15,16)82(9,10)11)36-98-64(88)35-65(89)99-37-61(41(3)4)85-76(92)54-29-21-46-50-25-33-58-73-59(34-26-51(69(50)73)47-22-30-55(77(85)93)71(54)67(46)47)81(97)87(80(58)96)63(43(7)8)39-101-103(17,18)83(12,13)14/h19-34,40-43,60-63H,35-39H2,1-18H3
  • CanoSmiles: CC([C@H](N1C(=O)c2ccc3c4c2c(C1=O)ccc4c1c2c3ccc3c2c(cc1)C(=O)N(C3=O)[C@@H](C(C)C)CO[Si](C(C)(C)C)(C)C)COC(=O)CC(=O)OC[C@@H](N1C(=O)c2ccc3c4c2c(C1=O)ccc4c1c2c3ccc3c2c(cc1)C(=O)N(C3=O)[C@@H](C(C)C)CO[Si](C(C)(C)C)(C)C)C(C)C)C
  • IsoSmiles: O=C(C(C=C1)=C2C3=C1C4=CC=C(C(N([C@@H](C(C)C)CO[Si](C)(C)C(C)(C)C)C5=O)=O)C6=C5C=CC(C3=CC=C27)=C64)N([C@@H](C(C)C)COC(CC(OC[C@@H](N(C8=O)C(C9=CC=C(C%10=C%11C=CC8=C%109)C%12=C(C%11=CC=C%13C(N([C@@H](C(C)C)CO[Si](C)(C)C(C)(C)C)C%14=O)=O)C%13=C%14C=C%12)=O)C(C)C)=O)=O)C7=O