- InChI
- InChI=1S/C50H118O16Si11/c1-67(2,3)51-34-37-39(56-47-43(62-73(19,20)21)42(61-72(16,17)18)40(59-70(10,11)12)38(54-47)35-52-68(4,5)6)41(60-71(13,14)15)44(63-74(22,23)24)48(55-37)57-50(36-53-69(7,8)9)46(65-76(28,29)30)45(64-75(25,26)27)49(58-50)66-77(31,32)33/h37-49H,34-36H2,1-33H3/t37-,38-,39-,40+,41+,42+,43-,44-,45+,46+,47+,48-,49-,50?/m1/s1
- InChI Key
- RMKLDGWZTNPIQO-DFSAKOBESA-N
- Formula
- C50H118O16Si11
- SMILES
-
C[Si](C)(C)OCC1OC(OC2(CO[Si](C
)(C)C)OC(O[Si](C)(C)C)C(O[Si]( C)(C)C)C2O[Si](C)(C)C)C(O[Si]( C)(C)C)C(O[Si](C)(C)C)C1OC1OC( CO[Si](C)(C)C)C(O[Si](C)(C)C)C (O[Si](C)(C)C)C1O[Si](C)(C)C - Molecular Weight1
- 1284.40
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 1.4360 | Relay (... Calculated Property | |
| ΔfG° | -1234.70 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -4132.17 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 122.44 | kJ/mol | Relay (... Calculated Property |
| IE | 8.96 | eV | Relay (... Calculated Property |
| log10WS | -7.58 | Relay (... Calculated Property | |
| logPoct/wat | 12.837 | Crippen Calculated Property | |
| Pc | -3342.90 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [3211.00; 3211.00] |
|
|
| Inp | 3211.00 | NIST | |
| Inp | 3211.00 | NIST | |
| Tboil | 914.55 | K | Relay (... Calculated Property |
| Tc | 1038.12 | K | Relay (... Calculated Property |
| Tfus | 300.14 | K | Relay (... Calculated Property |
| Vc | 4.170 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Lactosucrose: bD-Galp(1->4)-aDGlcp(1->2)-bFru, oxime-TMS.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) ⚠️ Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- NIST Webbook
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