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CAS 6379-56-2 hygromycin A molecular structure lightbox
CAS RN: 6379-56-2

hygromycin A

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Batchno.20260627 25mg / 50mg / 100mg Out of stock 8-10 business days Inquiry
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  • Product code: starshine_CAS6379-56-2
  • Purity/Analytical Methods: >99.0%
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6379-56-2 / N-[(3aS,4R,5R,6S,7R,7aR)-4,6,7-trihydroxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]-3-[4-[(2S,3S,4S,5S)-5-acetyl-3,4-dihydroxyoxolan-2-yl]oxy-3-hydroxyphenyl]-2-methylprop-2-enamide

Standard CAS: 6379-56-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6379-56-2
Multi CAS
Yes
Molecular Formula
C23H29NO12
Molecular Weight
511.500000
Exact Mass
511.168975
InChI
InChI=1S/C23H29NO12/c1-8(22(32)24-13-14(27)16(29)21-20(15(13)28)33-7-34-21)5-10-3-4-12(11(26)6-10)35-23-18(31)17(30)19(36-23)9(2)25/h3-6,13-21,23,26-31H,7H2,1-2H3,(H,24,32)/b8-5+/t13-,14+,15-,16-,17+,18+,19-,20+,21-,23-/m1/s1
InChIKey
YQYJSBFKSSDGFO-IIHALWDASA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
6
H-bond acceptors
12
H-bond donors
7
Molar refractivity
118.31
TPSA
204.47

LogP / Solubility

WLOGP
-2.47
MLOGP
-2.13
XLogP3
-1.8
Consensus LogP
-2.13
Log S (ESOL)
-1.18
Class (ESOL)
Soluble
Log S (Ali)
-1.97
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.66
Class (SILICOS-IT)
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)
-7.59

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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