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CAS 17606-72-3 MALTULOSE molecular structure lightbox
CAS RN: 17606-72-3

MALTULOSE

  • Product code: SSC-077174
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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: 0.25g
  • 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 17606-72-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

17606-72-3 / (3S,4R,5R)-1,3,5,6-tetrahydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-one

Standard CAS: 17606-72-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17606-72-3
Multi CAS
No
Molecular Formula
C12H22O11
Molecular Weight
342.300000
Exact Mass
342.116212
SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H]([C@@H](CO)O)[C@@H](C(=O)CO)O)O)O)O)O
InChI
InChI=1S/C12H22O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h5-15,17-21H,1-3H2/t5-,6-,7-,8-,9+,10-,11-,12-/m1/s1
InChIKey
PFCRQPBOOFTZGQ-RGXJTGTOSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.92
Rotatable bonds
8
H-bond acceptors
11
H-bond donors
8
Molar refractivity
69.83
TPSA
197.37

LogP / Solubility

WLOGP
-5.55
MLOGP
-4.87
XLogP3
-4.8
Consensus LogP
-5.07
Log S (ESOL)
2.06
Class (ESOL)
Highly soluble
Log S (Ali)
1.64
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.76
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)
-8.75

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6.5

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