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CAS 18191-20-3 N-Acetyl-D-chondrosamine 6-phosphate molecular structure lightbox
CAS RN: 18191-20-3

N-Acetyl-D-chondrosamine 6-phosphate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251115 1mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS18191-20-3
  • Purity/Analytical Methods: >99.0%
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18191-20-3 / [(2R,3S,4R,5R)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methyl dihydrogen phosphate

Standard CAS: 18191-20-3 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
18191-20-3
Multi CAS
No
Molecular Formula
C8H16NO9P
Molecular Weight
301.190000
Exact Mass
301.056268
SMILES
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)COP(=O)(O)O)O)O
InChI
InChI=1S/C8H16NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16)/t4-,5-,6-,7-,8?/m1/s1
InChIKey
BRGMHAYQAZFZDJ-RTRLPJTCSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.88
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
6
Molar refractivity
58.49
TPSA
165.78

LogP / Solubility

WLOGP
-2.96
MLOGP
-2.59
XLogP3
-4.2
Consensus LogP
-3.25
Log S (ESOL)
0.42
Class (ESOL)
Highly soluble
Log S (Ali)
0.11
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.36
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)
-6.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
4

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