[email protected]
CAS 71662-09-4 d-Fructose, 1-(dihydrogen phosphate), disodium salt molecular structure lightbox
CAS RN: 71662-09-4

d-Fructose, 1-(dihydrogen phosphate), disodium salt

Product Availability

Choose a grade to view its available package options.

2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251018 1mg Out of stock Inquiry
Batchno.20250307 5mg In stock Inquiry
  • Product code: starshine_CAS71662-09-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

71662-09-4 / disodium;(2R,3S,4S)-1,2-dihydroxy-5-oxo-6-phosphonooxyhexane-3,4-diolate

Standard CAS: 71662-09-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
71662-09-4
Multi CAS
No
Molecular Formula
C6H11Na2O9P
Molecular Weight
304.100000
Exact Mass
303.993607
SMILES
C([C@H]([C@H]([C@@H](C(=O)COP(=O)(O)O)[O-])[O-])O)O.[Na+].[Na+]
InChI
InChI=1S/C6H11O9P.2Na/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14;;/h3,5-8H,1-2H2,(H2,12,13,14);;/q-2;2*+1/t3-,5-,6-;;/m1../s1
InChIKey
ZYSSXCYTFUGJNK-ABICQQBESA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.83
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
4
Molar refractivity
43.67
TPSA
170.41

LogP / Solubility

WLOGP
-10.52
MLOGP
-9.24
XLogP3
-10.52
Consensus LogP
-10.09
Log S (ESOL)
5.36
Class (ESOL)
Highly soluble
Log S (Ali)
5.54
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
6.25
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)
-12.04

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us