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CAS 19026-22-3 2-acetamido-2-deoxy-D-glucono-.delta.-lactone molecular structure lightbox
CAS RN: 19026-22-3

2-acetamido-2-deoxy-D-glucono-.delta.-lactone

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250320 1mg / 5mg / 25mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS19026-22-3
  • Purity/Analytical Methods: >99.0%
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19026-22-3 / N-[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-oxooxan-3-yl]acetamide

Standard CAS: 19026-22-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
19026-22-3
Multi CAS
No
Molecular Formula
C8H13NO6
Molecular Weight
219.190000
Exact Mass
219.074287
SMILES
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1=O)CO)O)O
InChI
InChI=1S/C8H13NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-7,10,12-13H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-/m1/s1
InChIKey
NELQYZRSPDCGRQ-DBRKOABJSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
4
Molar refractivity
46.58
TPSA
116.09

LogP / Solubility

WLOGP
-2.87
MLOGP
-2.52
XLogP3
-2
Consensus LogP
-2.46
Log S (ESOL)
0.74
Class (ESOL)
Highly soluble
Log S (Ali)
0.71
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.06
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)
-6.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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