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CAS 53910-28-4 L(+)-ASCORBIC ACID 2-SULFATE DISODIUM SALT DIHYDRATE molecular structure lightbox
CAS RN: 53910-28-4

L(+)-ASCORBIC ACID 2-SULFATE DISODIUM SALT DIHYDRATE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250317 5g / 25g / 100g / 500g Confirm by inquiry Shanghai 15 business days Inquiry
  • Product code: starshine_CAS53910-28-4
  • Purity/Analytical Methods: >99.0%
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53910-28-4 / disodium;[(2S)-3-hydroxy-2-[(1S)-1-hydroxy-2-oxidoethyl]-5-oxo-2H-furan-4-yl] sulfate;dihydrate

Standard CAS: 53910-28-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
53910-28-4
Multi CAS
Yes
Molecular Formula
C6H10NA2O11S
Molecular Weight
336.180000
Exact Mass
335.973921
InChI
InChI=1S/C6H8O9S.2Na/c7-1-2(8)4-3(9)5(6(10)14-4)15-16(11,12)13;;/h2,4,7-9H,1H2,(H,11,12,13);;/q;2*+1/p-2/t2-,4+;;/m0../s1
InChIKey
AMQDHYXCJCIBQJ-YCWPWOODSA-L

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
9
H-bond donors
2
Molar refractivity
48.42
TPSA
219.25

LogP / Solubility

WLOGP
-10.76
MLOGP
-9.45
XLogP3
-10.76
Consensus LogP
-10.32
Log S (ESOL)
5.12
Class (ESOL)
Highly soluble
Log S (Ali)
5.45
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
6.61
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)
-12.41

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
2.5

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