[email protected]
CAS 10030-67-8 D-MELEZITOSE DIHYDRATE molecular structure lightbox
CAS RN: 10030-67-8

D-MELEZITOSE DIHYDRATE

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250303 1g / 5g Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251010 1g In stock Shanghai, Chengdu Inquiry
Batchno.20260128 25g In stock Shanghai Inquiry
Batchno.20260611 5g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
  • Product code: starshine_CAS10030-67-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

10030-67-8 / (2R,3R,4S,5S,6R)-2-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;hydrate

Melezitose monohydrate | Melezitose monohydrate, (+)- | 74671JEQ9L

Standard CAS: 10030-67-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
10030-67-8
Multi CAS
Yes
Molecular Formula
C18H34O17
Molecular Weight
522.500000
Exact Mass
522.179600
SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@@H]([C@H](O[C@@]2(CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CO)O)O)O)O)O.O
InChI
InChI=1S/C18H32O16.H2O/c19-1-5-8(23)11(26)13(28)16(30-5)32-15-10(25)7(3-21)33-18(15,4-22)34-17-14(29)12(27)9(24)6(2-20)31-17;/h5-17,19-29H,1-4H2;1H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15+,16-,17-,18+;/m1./s1
InChIKey
CFXAVQUXSYFPDE-ZDVKUAOASA-N
Synonyms
Melezitose monohydrate Melezitose monohydrate, (+)- 74671JEQ9L D-Glucoside, o-alpha-D-glucopyranosyl-(1->3)-beta-D-fructofuranosyl, hydrate (1:1) RefChem:1088932

Computed Properties

Structural Parameters

Heavy atom count
35
Fraction Csp3
1
Rotatable bonds
8
H-bond acceptors
16
H-bond donors
11
Molar refractivity
104.89
TPSA
300.18

LogP / Solubility

WLOGP
-8.4
MLOGP
-7.35
XLogP3
-8.4
Consensus LogP
-8.05
Log S (ESOL)
2.74
Class (ESOL)
Highly soluble
Log S (Ali)
2.22
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.95
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)
-11.87

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us