CAS RN: 88901-39-7
Mogroside I E1
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251018 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
88901-39-7 / (2R,3R,4S,5S,6R)-2-[[(3S,8S,9R,10R,11R,13R,14S,17R)-17-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-11-hydroxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
mogroside IE | CHEBI:138975 | RefChem:1089778
Basic Information
CAS
88901-39-7
Multi CAS
Yes
Molecular Formula
C36H62O9
Molecular Weight
638.900000
Exact Mass
638.439384
SMILES
CC(CCC(C(C)(C)O)O)C1CCC2(C1(CC(C3(C2CC=C4C3CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)O)C)O)C)C
InChI
InChI=1S/C36H62O9/c1-19(9-13-25(38)33(4,5)43)20-15-16-34(6)24-12-10-21-22(36(24,8)26(39)17-35(20,34)7)11-14-27(32(21,2)3)45-31-30(42)29(41)28(40)23(18-37)44-31/h10,19-20,22-31,37-43H,9,11-18H2,1-8H3/t19-,20-,22-,23-,24+,25-,26-,27+,28-,29+,30-,31+,34+,35-,36+/m1/s1
InChIKey
LLZGAVAIPZROOJ-FDWAMWGASA-N
Synonyms
mogroside IE
CHEBI:138975
RefChem:1089778
Mogroside I E1
Mogroside IE1
Computed Properties
Structural Parameters
Heavy atom count
45
Fraction Csp3
0.94
Rotatable bonds
8
H-bond acceptors
9
H-bond donors
7
Molar refractivity
169.71
TPSA
160.07
LogP / Solubility
WLOGP
3.3
MLOGP
2.95
XLogP3
3.8
Consensus LogP
3.35
Log S (ESOL)
-5.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.51
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.28
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10
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