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CAS 76487-51-9 5-(ACETYLAMINO)-9-AZIDO-3,5,9-TRIDEOXY-D-GLYCERO-D-GALCTO-2-NONULOSONIC ACID molecular structure lightbox
CAS RN: 76487-51-9

5-(ACETYLAMINO)-9-AZIDO-3,5,9-TRIDEOXY-D-GLYCERO-D-GALCTO-2-NONULOSONIC ACID

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260525 1mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-185893
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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: 0.1g, 0.25g, 1g
  • 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 76487-51-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 0 Out of Stock Shanghai Inquiry
0.25g >95% 0 Out of Stock Shenzhen Inquiry
1g >95% 0 Out of Stock Beijing Inquiry

76487-51-9 / (4S,5R,6R,7R,8R)-5-acetamido-9-azido-4,6,7,8-tetrahydroxy-2-oxononanoic acid

Standard CAS: 76487-51-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
76487-51-9
Multi CAS
Yes
Molecular Formula
C11H18N4O8
Molecular Weight
334.280000
Exact Mass
334.112464
InChI
InChI=1S/C11H18N4O8/c1-4(16)14-8(5(17)2-6(18)11(22)23)10(21)9(20)7(19)3-13-15-12/h5,7-10,17,19-21H,2-3H2,1H3,(H,14,16)(H,22,23)/t5-,7+,8+,9+,10+/m0/s1
InChIKey
RCMJNJVGOFCOSP-BOHATCBPSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.73
Rotatable bonds
10
H-bond acceptors
8
H-bond donors
6
Molar refractivity
72.9
TPSA
213.15

LogP / Solubility

WLOGP
-2.71
MLOGP
-2.37
XLogP3
-2.6
Consensus LogP
-2.56
Log S (ESOL)
0.46
Class (ESOL)
Highly soluble
Log S (Ali)
-0.34
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.78
Class (SILICOS-IT)
Very 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)
-6.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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