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CAS 136632-28-5 TREHALOSE 6-PHOSPHATE DIPOTASSIUM SALT molecular structure lightbox
CAS RN: 136632-28-5

TREHALOSE 6-PHOSPHATE DIPOTASSIUM SALT

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7 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250206 100mg In stock Inquiry
Batchno.20251021 100mg In stock Shanghai, Shandong Inquiry
Batchno.20260616 10mg In stock Inquiry
Batchno.20251002 10mg In stock Shanghai, Shandong, Guangdong, Hebei Inquiry
Batchno.20260305 25mg In stock Inquiry
Batchno.20250114 25mg In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20260422 5mg Out of stock Inquiry
  • Product code: starshine_CAS136632-28-5
  • Purity/Analytical Methods: >99.0%
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136632-28-5 / dipotassium;[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl phosphate

Standard CAS: 136632-28-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
136632-28-5
Multi CAS
No
Molecular Formula
C12H21K2O14P
Molecular Weight
498.460000
Exact Mass
497.994305
SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COP(=O)([O-])[O-])O)O)O)O)O)O)O.[K+].[K+]
InChI
InChI=1S/C12H23O14P.2K/c13-1-3-5(14)7(16)9(18)11(24-3)26-12-10(19)8(17)6(15)4(25-12)2-23-27(20,21)22;;/h3-19H,1-2H2,(H2,20,21,22);;/q;2*+1/p-2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-;;/m1../s1
InChIKey
YKCUKYNZTFYPHM-PVXXTIHASA-L

Computed Properties

Structural Parameters

Heavy atom count
29
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
14
H-bond donors
7
Molar refractivity
75.09
TPSA
241.72

LogP / Solubility

WLOGP
-12.54
MLOGP
-11
XLogP3
-12.54
Consensus LogP
-12.03
Log S (ESOL)
5.36
Class (ESOL)
Highly soluble
Log S (Ali)
5.4
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
6.79
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)
-14.66

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
7.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501

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