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CAS 14215-86-2 (-)-Sweroside molecular structure lightbox
CAS RN: 14215-86-2

(-)-Sweroside

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250224 100mg In stock Shanghai Inquiry
Batchno.20251119 10mg In stock Shanghai Inquiry
Batchno.20260418 1mg In stock Shanghai Inquiry
Batchno.20251123 250mg In stock Shanghai Inquiry
Batchno.20250509 50mg In stock Shanghai Inquiry
Batchno.20260520 5mg In stock Shanghai Inquiry
  • Product code: ICTW0022
  • Purity/Analytical Methods: >98.0%(HPLC)
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14215-86-2 / (3S,4R,4aS)-4-ethenyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-8-one

Standard CAS: 14215-86-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
14215-86-2
Multi CAS
No
Molecular Formula
C16H22O9
Molecular Weight
358.340000
Exact Mass
358.126382
SMILES
C=C[C@@H]1[C@@H]2CCOC(=O)C2=CO[C@H]1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI
InChI=1S/C16H22O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2,6-8,10-13,15-20H,1,3-5H2/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1
InChIKey
VSJGJMKGNMDJCI-ZASXJUAOSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
0.69
Rotatable bonds
4
H-bond acceptors
9
H-bond donors
4
Molar refractivity
80.56
TPSA
134.91

LogP / Solubility

WLOGP
-1.59
MLOGP
-1.38
XLogP3
-0.9
Consensus LogP
-1.29
Log S (ESOL)
-0.8
Class (ESOL)
Very soluble
Log S (Ali)
-1.35
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.15
Class (SILICOS-IT)
Soluble

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
No
Log Kp (skin permeation)
-6.04

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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