CAS RN: 533-49-3
L-(+)-ERYTHROSE
Product Availability
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3 package records0 with current stock2 grade groups
- Product code: starshine_CAS533-49-3
- Purity/Analytical Methods: >99.0%
533-49-3 / 2,3,4-trihydroxybutanal
Basic Information
CAS
533-49-3
Multi CAS
Yes
Molecular Formula
C4H8O4
Molecular Weight
120.100000
Exact Mass
120.042259
InChI
InChI=1S/C4H8O4/c5-1-3(7)4(8)2-6/h1,3-4,6-8H,2H2
InChIKey
YTBSYETUWUMLBZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.75
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
25.16
TPSA
77.76
LogP / Solubility
WLOGP
-2.1
MLOGP
-1.86
XLogP3
-2.2
Consensus LogP
-2.05
Log S (ESOL)
0.94
Class (ESOL)
Highly soluble
Log S (Ali)
0.97
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.94
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)
-4.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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- Purity/Analytical method: >99.0%
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