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CAS 562043-82-7 Ascorbic acid 2-glucoside molecular structure lightbox
CAS RN: 562043-82-7

Ascorbic acid 2-glucoside

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4 package records0 with current stock1 grade group
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Batchno.20260318 10mg Out of stock Inquiry
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  • Product code: starshine_CAS562043-82-7
  • Purity/Analytical Methods: >99.0%
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562043-82-7 / (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2H-furan-5-one

Standard CAS: 562043-82-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
562043-82-7
Multi CAS
Yes
Molecular Formula
C12H18O11
Molecular Weight
338.260000
Exact Mass
338.084911
InChI
InChI=1S/C12H18O11/c13-1-3(15)9-8(19)10(11(20)22-9)23-12-7(18)6(17)5(16)4(2-14)21-12/h3-7,9,12-19H,1-2H2/t3-,4+,5+,6-,7+,9+,12-/m0/s1
InChIKey
MLSJBGYKDYSOAE-DNYNHWTLSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.75
Rotatable bonds
5
H-bond acceptors
11
H-bond donors
7
Molar refractivity
67.48
TPSA
186.37

LogP / Solubility

WLOGP
-4.15
MLOGP
-3.63
XLogP3
-3.1
Consensus LogP
-3.63
Log S (ESOL)
1.01
Class (ESOL)
Highly soluble
Log S (Ali)
0.66
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.98
Class (SILICOS-IT)
Highly 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)
-7.73

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
Yes
Synthetic Accessibility
6

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