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CAS 91183-87-8 ALPHA-D-GLUCOSE 1,6-DIPHOSPHATE POTASSIUM SALT: HYDRATE molecular structure lightbox
CAS RN: 91183-87-8

ALPHA-D-GLUCOSE 1,6-DIPHOSPHATE POTASSIUM SALT: HYDRATE

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251105 25mg Out of stock 15 business days Inquiry
Batchno.20251020 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS91183-87-8
  • Purity/Analytical Methods: >99.0%
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91183-87-8 / tetrapotassium;[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(phosphonatooxymethyl)oxan-2-yl] phosphate;hydrate

Standard CAS: 91183-87-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
91183-87-8
Multi CAS
Yes
Molecular Formula
C6H12K4O13P2
Molecular Weight
510.490000
Exact Mass
509.830140
InChI
InChI=1S/C6H14O12P2.4K/c7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15;;;;/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15);;;;/q;4*+1/p-4/t2-,3-,4+,5-,6-;;;;/m1..../s1
InChIKey
OVRXVCAVDXBPQT-QMKHLHGBSA-J

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
12
H-bond donors
3
Molar refractivity
52.55
TPSA
246.26

LogP / Solubility

WLOGP
-18.32
MLOGP
-16.09
XLogP3
-18.32
Consensus LogP
-17.58
Log S (ESOL)
8.87
Class (ESOL)
Highly soluble
Log S (Ali)
9.48
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
11.63
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)
-18.84

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
5

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