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CAS 1120360-13-5 Glyceryl Ascorbate molecular structure lightbox
CAS RN: 1120360-13-5

Glyceryl Ascorbate

  • Product code: SSC-012561
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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: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1120360-13-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

1120360-13-5 / (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-(2,3-dihydroxypropoxy)-3-hydroxy-2H-furan-5-one

SCHEMBL2609767 | SB45463

Standard CAS: 1120360-13-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1120360-13-5
Multi CAS
Yes
Molecular Formula
C9H14O8
Molecular Weight
250.200000
Exact Mass
250.068867
SMILES
C([C@@H]([C@@H]1C(=C(C(=O)O1)OCC(CO)O)O)O)O
InChI
InChI=1S/C9H14O8/c10-1-4(12)3-16-8-6(14)7(5(13)2-11)17-9(8)15/h4-5,7,10-14H,1-3H2/t4?,5-,7+/m0/s1
InChIKey
KQWQJCDIYBPYNT-ACFLWUFDSA-N
Synonyms
SCHEMBL2609767 SB45463

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.67
Rotatable bonds
6
H-bond acceptors
8
H-bond donors
5
Molar refractivity
51.67
TPSA
136.68

LogP / Solubility

WLOGP
-2.6
MLOGP
-2.28
XLogP3
-2.6
Consensus LogP
-2.49
Log S (ESOL)
0.64
Class (ESOL)
Highly soluble
Log S (Ali)
0.26
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.15
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)
-6.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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