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CAS 5994-61-6 N-(Carboxymethyl)-N-(phosphonomethyl)-glycine molecular structure lightbox
CAS RN: 5994-61-6

N-(Carboxymethyl)-N-(phosphonomethyl)-glycine

Product Availability

Choose a grade to view its available package options.

9 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260514 100g In stock Inquiry
Batchno.20250219 10kg In stock Inquiry
Batchno.20250706 1kg In stock Inquiry
Batchno.20250520 2.5kg In stock Inquiry
Batchno.20260508 250g In stock Inquiry
Batchno.20260304 500g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260307 100g In stock Shanghai Inquiry
Batchno.20260616 25g In stock Shanghai Inquiry
Batchno.20260526 500g In stock Shanghai Inquiry
  • Product code: SSC-168514
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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: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 5994-61-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

5994-61-6 / 2-[carboxymethyl(phosphonomethyl)amino]acetic acid

Standard CAS: 5994-61-6 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
5994-61-6
Multi CAS
Yes
Molecular Formula
C5H10NO7P
Molecular Weight
227.110000
Exact Mass
227.019489
InChI
InChI=1S/C5H10NO7P/c7-4(8)1-6(2-5(9)10)3-14(11,12)13/h1-3H2,(H,7,8)(H,9,10)(H2,11,12,13)
InChIKey
AZIHIQIVLANVKD-UHFFFAOYSA-N

Physical Properties

Physical Description
Water or Solvent Wet Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.6
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
4
Molar refractivity
43.76
TPSA
135.37

LogP / Solubility

WLOGP
-1.41
MLOGP
-1.24
XLogP3
-4.6
Consensus LogP
-2.42
Log S (ESOL)
0.03
Class (ESOL)
Highly soluble
Log S (Ali)
-0.41
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.69
Class (SILICOS-IT)
Very 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)
-5.1

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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