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CAS 31138-65-5 Sodium Glucoheptonate Dihydrate molecular structure lightbox
CAS RN: 31138-65-5

Sodium Glucoheptonate Dihydrate

  • Product code: SSC-136398
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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: 500g
  • 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 31138-65-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ＞95% 0 Out of Stock Shanghai Inquiry

31138-65-5 / sodium 2,3,4,5,6,7-hexahydroxyheptanoate

Standard CAS: 31138-65-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
31138-65-5
Multi CAS
Yes
Molecular Formula
C7H13NAO8
Molecular Weight
248.160000
Exact Mass
248.050812
InChI
InChI=1S/C7H14O8.Na/c8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2-6,8-13H,1H2,(H,14,15);/q;+1/p-1
InChIKey
FMYOMWCQJXWGEN-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.86
Rotatable bonds
6
H-bond acceptors
8
H-bond donors
6
Molar refractivity
42.13
TPSA
161.51

LogP / Solubility

WLOGP
-8.46
MLOGP
-7.44
XLogP3
-8.46
Consensus LogP
-8.12
Log S (ESOL)
4.35
Class (ESOL)
Highly soluble
Log S (Ali)
4.52
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
5.03
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)
-10.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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