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CAS 258824-38-3 N-Glycolyl-D-mannosamine Pentaacetate molecular structure lightbox
CAS RN: 258824-38-3

N-Glycolyl-D-mannosamine Pentaacetate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250408 100mg Out of stock 5-7 business days Inquiry
  • Product code: ICTG0463
  • Purity/Analytical Methods: >93.0%(HPLC)
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258824-38-3 / [(2R,3S,4R,5S)-3,4,6-triacetyloxy-5-[(2-acetyloxyacetyl)amino]oxan-2-yl]methyl acetate

Standard CAS: 258824-38-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
258824-38-3
Multi CAS
No
Molecular Formula
C18H25NO12
Molecular Weight
447.400000
Exact Mass
447.137675
SMILES
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H](C(O1)OC(=O)C)NC(=O)COC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C18H25NO12/c1-8(20)26-6-13-16(28-10(3)22)17(29-11(4)23)15(18(31-13)30-12(5)24)19-14(25)7-27-9(2)21/h13,15-18H,6-7H2,1-5H3,(H,19,25)/t13-,15+,16-,17-,18?/m1/s1
InChIKey
SUXKJZXQWVSZCE-GAMQSXCYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Fraction Csp3
0.67
Rotatable bonds
8
H-bond acceptors
12
H-bond donors
1
Molar refractivity
96.73
TPSA
169.83

LogP / Solubility

WLOGP
-1.25
MLOGP
-1.07
Consensus LogP
-0.77
Log S (ESOL)
-1.3
Class (ESOL)
Soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.49
Class (SILICOS-IT)
Moderately 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)
-6.34

Drug-likeness / Medicinal Chemistry

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

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