![CAS 125760-30-7 Fmoc-L-Ser[alpha-(Gal-beta(1-3)-GalNAc)]-OH peracetate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/125760-30-7.gif)
CAS RN: 125760-30-7
Fmoc-L-Ser[alpha-(Gal-beta(1-3)-GalNAc)]-OH peracetate
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.20250629 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS125760-30-7
- Purity/Analytical Methods: >99.0%
125760-30-7 / (2S)-3-[(2S,3R,4R,5R,6R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
Basic Information
CAS
125760-30-7
Multi CAS
No
Molecular Formula
C44H52N2O21
Molecular Weight
944.900000
Exact Mass
944.306257
SMILES
CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OC[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)COC(=O)C)OC(=O)C)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C44H52N2O21/c1-20(47)45-35-38(67-43-40(64-26(7)53)39(63-25(6)52)37(62-24(5)51)34(66-43)19-58-22(3)49)36(61-23(4)50)33(18-57-21(2)48)65-42(35)59-17-32(41(54)55)46-44(56)60-16-31-29-14-10-8-12-27(29)28-13-9-11-15-30(28)31/h8-15,31-40,42-43H,16-19H2,1-7H3,(H,45,47)(H,46,56)(H,54,55)/t32-,33+,34+,35+,36-,37-,38+,39-,40+,42-,43-/m0/s1
InChIKey
JIIREWDIFSHWID-CYAMVCNPSA-N
Computed Properties
Structural Parameters
Heavy atom count
67
Aromatic heavy atom count
12
Fraction Csp3
0.52
Rotatable bonds
18
H-bond acceptors
20
H-bond donors
3
Molar refractivity
220.86
TPSA
299.45
LogP / Solubility
WLOGP
1.19
MLOGP
1.13
XLogP3
1.2
Consensus LogP
1.17
Log S (ESOL)
-5.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-8.17
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.95
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-7.64
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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