CAS RN: 62512-21-4
Fructo-oligosaccharide, Analytical reference
Product Availability
Choose a grade to view its available package options.
5 package records2 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250903 | 20mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINF889747
62512-21-4 / (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Basic Information
CAS
62512-21-4
Multi CAS
Yes
Molecular Formula
C48H82O41
Molecular Weight
1315.100000
Exact Mass
1314.433152
InChI
InChI=1S/C48H82O41/c49-1-16-24(58)32(66)33(67)41(81-16)89-48(40(74)31(65)23(8-56)88-48)15-80-47(39(73)30(64)22(7-55)87-47)14-79-46(38(72)29(63)21(6-54)86-46)13-78-45(37(71)28(62)20(5-53)85-45)12-77-44(36(70)27(61)19(4-52)84-44)11-76-43(35(69)26(60)18(3-51)83-43)10-75-42(9-57)34(68)25(59)17(2-50)82-42/h16-41,49-74H,1-15H2/t16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32+,33-,34+,35+,36+,37+,38+,39+,40+,41-,42-,43-,44-,45-,46-,47-,48+/m1/s1
InChIKey
YXHDBCCSNMFRIG-XZASVILLSA-N
Computed Properties
Structural Parameters
Heavy atom count
89
Fraction Csp3
1
Rotatable bonds
29
H-bond acceptors
41
H-bond donors
26
Molar refractivity
264.57
TPSA
664.43
LogP / Solubility
WLOGP
-18.44
MLOGP
-16.09
XLogP3
-14.8
Consensus LogP
-16.44
Log S (ESOL)
5.54
Class (ESOL)
Highly soluble
Log S (Ali)
2.97
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
3.62
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)
-23.84
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10
