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CAS 1114-41-6 MURAMIC ACID molecular structure lightbox
CAS RN: 1114-41-6

MURAMIC ACID

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250911 1mg In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20260614 25mg In stock Shanghai, Shandong Inquiry
Batchno.20250127 5mg In stock Shanghai, Shandong, Guangdong, Hebei Inquiry
  • Product code: starshine_CAS1114-41-6
  • Purity/Analytical Methods: >99.0%
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1114-41-6 / (2R)-2-[(3R,4R,5S,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoic acid

aldehydo-muramic acid | CHEBI:47970 | 2-amino-3-O-[(1R)-1-carboxyethyl]-2-deoxy-aldehydo-D-glucose

Standard CAS: 1114-41-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1114-41-6
Multi CAS
Yes
Molecular Formula
C9H17NO7
Molecular Weight
251.230000
Exact Mass
251.100502
SMILES
C[C@H](C(=O)O)O[C@H]1[C@@H]([C@H](OC([C@@H]1N)O)CO)O
InChI
InChI=1S/C9H17NO7/c1-3(8(13)14)16-7-5(10)9(15)17-4(2-11)6(7)12/h3-7,9,11-12,15H,2,10H2,1H3,(H,13,14)/t3-,4-,5-,6-,7-,9?/m1/s1
InChIKey
MSFSPUZXLOGKHJ-PGYHGBPZSA-N
Synonyms
aldehydo-muramic acid CHEBI:47970 2-amino-3-O-[(1R)-1-carboxyethyl]-2-deoxy-aldehydo-D-glucose 2-amino-3-O-((1R)-1-carboxyethyl)-2-deoxy-aldehydo-D-glucose RefChem:936061

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.89
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
5
Molar refractivity
53.92
TPSA
142.47

LogP / Solubility

WLOGP
-2.76
MLOGP
-2.42
XLogP3
-4.6
Consensus LogP
-3.26
Log S (ESOL)
0.6
Class (ESOL)
Highly soluble
Log S (Ali)
0.37
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.52
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)
-6.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4.5

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

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