Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 100g
- Available purity: ≥97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 100g | ≥97% | 0 Out of Stock | Beijing | Inquiry |
526-99-8 / (2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid
Basic Information
CAS
526-99-8
Multi CAS
Yes
Molecular Formula
C6H10O8
Molecular Weight
210.140000
Exact Mass
210.037567
InChI
InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2+,3+,4-
InChIKey
DSLZVSRJTYRBFB-DUHBMQHGSA-N
Physical Properties
Melting Point
220 - 225 °C
Physical Description
Solid; [Merck Index] Faintly beige powder;
Solid
Appearance
CRYSTALLINE POWDER
PRISMS FROM WATER
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.67
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
6
Molar refractivity
39.3
TPSA
155.52
LogP / Solubility
WLOGP
-3.4
MLOGP
-2.99
XLogP3
-2.5
Consensus LogP
-2.96
Log S (ESOL)
1.33
Class (ESOL)
Highly soluble
Log S (Ali)
1.17
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.2
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)
-6.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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- Purity/Analytical method: >98.0%(GC)(T)
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