Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 100g, 500g, 1000g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
13472-35-0 / sodium;dihydrogen phosphate;dihydrate
Basic Information
CAS
13472-35-0
Multi CAS
No
Molecular Formula
H6NaO6P
Molecular Weight
156.010000
Exact Mass
155.979969
SMILES
O.O.OP(=O)(O)[O-].[Na+]
InChI
InChI=1S/Na.H3O4P.2H2O/c;1-5(2,3)4;;/h;(H3,1,2,3,4);2*1H2/q+1;;;/p-1
InChIKey
VBJGJHBYWREJQD-UHFFFAOYSA-M
Physical Properties
Physical Description
Colorless solid; [Merck Index] White hygroscopic solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
8
H-bond acceptors
2
H-bond donors
2
Molar refractivity
19.27
TPSA
143.59
LogP / Solubility
WLOGP
-6.21
MLOGP
-5.47
XLogP3
-6.21
Consensus LogP
-5.96
Log S (ESOL)
3.1
Class (ESOL)
Highly soluble
Log S (Ali)
3.64
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
4.48
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)
-8.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 52 of 52 companies. For more detailed information, please visit ECHA C&L website.
