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CAS 5058-01-5 2,5-dihydroxyvaleric acid delta lactone molecular structure lightbox
CAS RN: 5058-01-5

2,5-dihydroxyvaleric acid delta lactone

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251109 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS5058-01-5
  • Purity/Analytical Methods: >99.0%
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5058-01-5 / 3-hydroxyoxan-2-one

Standard CAS: 5058-01-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5058-01-5
Multi CAS
Yes
Molecular Formula
C5H8O3
Molecular Weight
116.110000
Exact Mass
116.047344
InChI
InChI=1S/C5H8O3/c6-4-2-1-3-8-5(4)7/h4,6H,1-3H2
InChIKey
FHSAZOGISLHXPK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.8
H-bond acceptors
3
H-bond donors
1
Molar refractivity
26.2
TPSA
46.53

LogP / Solubility

WLOGP
-0.32
MLOGP
-0.29
Consensus LogP
-0.2
Log S (ESOL)
-0.36
Class (ESOL)
Very soluble
Log S (Ali)
-0.28
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.15
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.65

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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