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CAS 7277-98-7 UDP-GALNAC molecular structure lightbox
CAS RN: 7277-98-7

UDP-GALNAC

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Batchno.20250315 50mg Out of stock Inquiry
  • Product code: starshine_CAS7277-98-7
  • Purity/Analytical Methods: >99.0%
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7277-98-7 / [3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] [[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate

Standard CAS: 7277-98-7 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
7277-98-7
Multi CAS
Yes
Molecular Formula
C17H27N3O17P2
Molecular Weight
607.400000
Exact Mass
607.081570
InChI
InChI=1S/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)
InChIKey
LFTYTUAZOPRMMI-UHFFFAOYSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
39
Aromatic heavy atom count
6
Fraction Csp3
0.71
Rotatable bonds
10
H-bond acceptors
16
H-bond donors
9
Molar refractivity
120.38
TPSA
305.86

LogP / Solubility

WLOGP
-4.65
MLOGP
-4.04
XLogP3
-6.6
Consensus LogP
-5.1
Log S (ESOL)
-0.13
Class (ESOL)
Very soluble
Log S (Ali)
-1.18
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.95
Class (SILICOS-IT)
Very 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)
-9.73

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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