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CAS 478518-78-4 ALPHA-D-[1-13C]GALACTOPYRANOSYL 1-PHOSPHATE DIPOTASSIUM SALT molecular structure lightbox
CAS RN: 478518-78-4

ALPHA-D-[1-13C]GALACTOPYRANOSYL 1-PHOSPHATE DIPOTASSIUM SALT

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250413 50mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS478518-78-4
  • Purity/Analytical Methods: >99.0%
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478518-78-4 / dipotassium;[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] phosphate

Standard CAS: 478518-78-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
478518-78-4
Multi CAS
Yes
Molecular Formula
C6H11K2O9P
Molecular Weight
336.320000
Exact Mass
335.941482
InChI
InChI=1S/C6H13O9P.2K/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13;;/h2-10H,1H2,(H2,11,12,13);;/q;2*+1/p-2/t2-,3+,4+,5-,6-;;/m1../s1/i6+1;;
InChIKey
KCIDZIIHRGYJAE-HLZBLTOGSA-L

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
9
H-bond donors
4
Molar refractivity
42.46
TPSA
162.57

LogP / Solubility

WLOGP
-10.36
MLOGP
-9.1
XLogP3
-10.36
Consensus LogP
-9.94
Log S (ESOL)
4.8
Class (ESOL)
Highly soluble
Log S (Ali)
5.16
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
6.39
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)
-12.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
4

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