[email protected]
CAS 13382-86-0 manninotriose molecular structure lightbox
CAS RN: 13382-86-0

manninotriose

Product Availability

Choose a grade to view its available package options.

6 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250627 100mg Out of stock Inquiry
Batchno.20250206 10mg In stock Shanghai Inquiry
Batchno.20250101 1mg In stock Shanghai Inquiry
Batchno.20260306 250mg Out of stock Inquiry
Batchno.20251016 50mg Out of stock Inquiry
Batchno.20250623 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS13382-86-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

13382-86-0 / (2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexanal

Standard CAS: 13382-86-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
13382-86-0
Multi CAS
No
Molecular Formula
C18H32O16
Molecular Weight
504.400000
Exact Mass
504.169035
SMILES
C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)OC[C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O)O)O)O)O)O)O
InChI
InChI=1S/C18H32O16/c19-1-5(21)9(23)10(24)6(22)3-31-17-16(30)14(28)12(26)8(34-17)4-32-18-15(29)13(27)11(25)7(2-20)33-18/h1,5-18,20-30H,2-4H2/t5-,6+,7+,8+,9+,10+,11-,12-,13-,14-,15+,16+,17-,18-/m0/s1
InChIKey
FZWBNHMXJMCXLU-YRBKNLIBSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Fraction Csp3
0.94
Rotatable bonds
11
H-bond acceptors
16
H-bond donors
11
Molar refractivity
102.44
TPSA
276.52

LogP / Solubility

WLOGP
-7.73
MLOGP
-6.77
XLogP3
-7.2
Consensus LogP
-7.23
Log S (ESOL)
2.63
Class (ESOL)
Highly soluble
Log S (Ali)
1.88
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.16
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-11.29

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
9.5

Customers Also Viewed

Get In Touch

Contact Us