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CAS 37248-47-8 Validamycin molecular structure lightbox
CAS RN: 37248-47-8

Validamycin

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8 package records6 with current stock4 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250531 100g In stock Shandong, Chongqing Inquiry
Batchno.20251008 25g In stock Shandong, Guangdong Inquiry
Batchno.20250930 500g Out of stock 5-7 business days Inquiry
Batchno.20260106 5g In stock Shanghai Inquiry
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Batchno.20250912 1ml Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250608 250mg In stock Shanghai, Shandong, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260319 250mg In stock Inquiry
Batchno.20250804 50mg In stock Inquiry
  • Product code: LINV820473
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37248-47-8 / (2R,3R,4S,5S,6R)-2-[(1R,2R,3S,4S,6R)-2,3-dihydroxy-6-(hydroxymethyl)-4-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Standard CAS: 37248-47-8 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
37248-47-8
Multi CAS
Yes
Molecular Formula
C20H35NO13
Molecular Weight
497.500000
Exact Mass
497.210840
InChI
InChI=1S/C20H35NO13/c22-3-6-1-8(12(26)15(29)11(6)25)21-9-2-7(4-23)19(17(31)13(9)27)34-20-18(32)16(30)14(28)10(5-24)33-20/h1,7-32H,2-5H2/t7-,8+,9+,10-,11-,12+,13+,14-,15+,16+,17-,18-,19-,20+/m1/s1
InChIKey
JARYYMUOCXVXNK-CSLFJTBJSA-N

Physical Properties

Melting Point
130-135 °C (with decomp)
Physical Description
Colorless or white odorless hygroscopic solid; [Merck Index] Colorless odorless hygroscopic powder
Appearance
Colorless powder White powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
34
Fraction Csp3
0.9
Rotatable bonds
7
H-bond acceptors
14
H-bond donors
12
Molar refractivity
109.75
TPSA
253.02

LogP / Solubility

WLOGP
-6.75
MLOGP
-5.91
XLogP3
-6.3
Consensus LogP
-6.32
Log S (ESOL)
1.79
Class (ESOL)
Highly soluble
Log S (Ali)
1.24
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.87
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-10.55

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
9.5

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