![CAS 60354-05-4 9H-Xanthen-9-one, 1-hydroxy-2,6-dimethoxy-8-[(6-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/60354-05-4.gif)
CAS RN: 60354-05-4
9H-Xanthen-9-one, 1-hydroxy-2,6-dimethoxy-8-[(6-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260107 | 1mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS60354-05-4
- Purity/Analytical Methods: >99.0%
60354-05-4 / 1-hydroxy-2,6-dimethoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyxanthen-9-one
Basic Information
CAS
60354-05-4
Multi CAS
No
Molecular Formula
C26H30O15
Molecular Weight
582.500000
Exact Mass
582.158470
InChI
InChI=1S/C26H30O15/c1-35-9-5-13-16(21(31)17-11(39-13)3-4-12(36-2)19(17)29)14(6-9)40-26-24(34)22(32)20(30)15(41-26)8-38-25-23(33)18(28)10(27)7-37-25/h3-6,10,15,18,20,22-30,32-34H,7-8H2,1-2H3/t10-,15-,18+,20-,22+,23-,24-,25+,26-/m1/s1
InChIKey
NNYKTKDAAWADQG-HBSGFRINSA-N
Computed Properties
Structural Parameters
Heavy atom count
41
Aromatic heavy atom count
14
Fraction Csp3
0.5
Rotatable bonds
7
H-bond acceptors
15
H-bond donors
7
Molar refractivity
135.78
TPSA
227.2
LogP / Solubility
WLOGP
-1.69
MLOGP
-1.44
XLogP3
-1.1
Consensus LogP
-1.41
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.88
Class (SILICOS-IT)
Moderately soluble
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
No
Log Kp (skin permeation)
-7.47
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
9.5
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