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CAS 9000-69-5 Pectin from Citrus molecular structure lightbox
CAS RN: 9000-69-5

Pectin from Citrus

  • Product code: SSC-202310
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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: 25g
  • Available purity: N/A
  • 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 9000-69-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g N/A 0 Out of Stock Shanghai Inquiry

9000-69-5 / (2S,3R,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid

Standard CAS: 9000-69-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
9000-69-5
Multi CAS
Yes
Molecular Formula
C6H10O7
Molecular Weight
194.140000
Exact Mass
194.042653
InChI
InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3+,4-,6+/m0/s1
InChIKey
AEMOLEFTQBMNLQ-DTEWXJGMSA-N

Physical Properties

Melting Point
142-144 °C 6.1ºC
Boiling Point
415.5ºC at 760 mmHg
Physical Description
Yellowish-white solid; [Merck Index] Light brown powder; Solid
Appearance
Coarse or fine powder, yellowish white
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
5
Molar refractivity
36.54
TPSA
127.45

LogP / Solubility

WLOGP
-3.13
MLOGP
-2.75
XLogP3
-2.3
Consensus LogP
-2.73
Log S (ESOL)
0.99
Class (ESOL)
Highly soluble
Log S (Ali)
1.11
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.56
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)
-6.13

Drug-likeness / Medicinal Chemistry

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

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