CAS RN: 18555-65-2
5-Deoxy-L-ribose
Product Availability
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2 package records1 with current stock1 grade group
- Product code: starshine_CAS18555-65-2
- Purity/Analytical Methods: >99.0%
18555-65-2 / (2S,3S,4S)-2,3,4-trihydroxypentanal
Basic Information
CAS
18555-65-2
Multi CAS
No
Molecular Formula
C5H10O4
Molecular Weight
134.130000
Exact Mass
134.057909
SMILES
C[C@@H]([C@@H]([C@@H](C=O)O)O)O
InChI
InChI=1S/C5H10O4/c1-3(7)5(9)4(8)2-6/h2-5,7-9H,1H3/t3-,4+,5-/m0/s1
InChIKey
WDRISBUVHBMJEF-LMVFSUKVSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.8
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
29.76
TPSA
77.76
LogP / Solubility
WLOGP
-1.71
MLOGP
-1.51
XLogP3
-1.3
Consensus LogP
-1.51
Log S (ESOL)
0.61
Class (ESOL)
Highly soluble
Log S (Ali)
0.58
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.53
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)
-4.75
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
3
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