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CAS 75645-27-1 N-[(2S,3R,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide molecular structure lightbox
CAS RN: 75645-27-1

N-[(2S,3R,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide

Product Availability

Choose a grade to view its available package options.

3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250701 1mg Out of stock Inquiry
Batchno.20250905 5mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260613 5mg / 10mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-185071
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.005g, 0.01g
  • Available purity: >95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 75645-27-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.005g >95% 0 Out of Stock Shanghai Inquiry
0.01g >95% 0 Out of Stock Hong Kong Inquiry

75645-27-1 / N-[(2S,3R,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide

Standard CAS: 75645-27-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
75645-27-1
Multi CAS
Yes
Molecular Formula
C20H35NO16
Molecular Weight
545.500000
Exact Mass
545.195584
InChI
InChI=1S/C20H35NO16/c1-6(26)21-11-15(32)13(30)9(4-24)34-19(11)37-18-14(31)10(5-25)35-20(16(18)33)36-17(8(28)3-23)12(29)7(27)2-22/h2,7-20,23-25,27-33H,3-5H2,1H3,(H,21,26)/t7-,8+,9+,10+,11+,12+,13+,14-,15+,16+,17+,18-,19-,20-/m0/s1
InChIKey
RJTOFDPWCJDYFZ-SPVZFZGWSA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Fraction Csp3
0.95
Rotatable bonds
8
H-bond acceptors
16
H-bond donors
11
Molar refractivity
112.85
TPSA
277.55

LogP / Solubility

WLOGP
-7.43
MLOGP
-6.5
XLogP3
-5.8
Consensus LogP
-6.58
Log S (ESOL)
1.99
Class (ESOL)
Highly soluble
Log S (Ali)
1.33
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2
Class (SILICOS-IT)
Highly 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)
-11.32

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10

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