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CAS 226877-04-9 α-L-Altrofuranose, 1,2,3,6-tetrakis(2,2-dimethylpropanoate) molecular structure lightbox
CAS RN: 226877-04-9

α-L-Altrofuranose, 1,2,3,6-tetrakis(2,2-dimethylpropanoate)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260302 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS226877-04-9
  • Purity/Analytical Methods: >99.0%
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226877-04-9 / [(2S)-2-hydroxy-2-[(2S,3S,4R,5S)-3,4,5-tris(2,2-dimethylpropanoyloxy)oxolan-2-yl]ethyl] 2,2-dimethylpropanoate

Standard CAS: 226877-04-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
226877-04-9
Multi CAS
No
Molecular Formula
C26H44O10
Molecular Weight
516.600000
Exact Mass
516.293448
SMILES
CC(C)(C)C(=O)OC[C@@H]([C@H]1[C@@H]([C@H]([C@@H](O1)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)O
InChI
InChI=1S/C26H44O10/c1-23(2,3)19(28)32-13-14(27)15-16(34-20(29)24(4,5)6)17(35-21(30)25(7,8)9)18(33-15)36-22(31)26(10,11)12/h14-18,27H,13H2,1-12H3/t14-,15-,16-,17+,18-/m0/s1
InChIKey
QKVPHRSJRTWUAC-TXTZMMAHSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Fraction Csp3
0.85
Rotatable bonds
6
H-bond acceptors
10
H-bond donors
1
Molar refractivity
129.3
TPSA
134.66

LogP / Solubility

WLOGP
3.17
MLOGP
2.82
XLogP3
4.8
Consensus LogP
3.6
Log S (ESOL)
-4.64
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.08
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.37
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.62

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5

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