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CAS 58976-65-1 N,N-bis(carboxymethyl)-L-glutamic acid molecular structure lightbox
CAS RN: 58976-65-1

N,N-bis(carboxymethyl)-L-glutamic acid

  • Product code: SSC-167331
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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 58976-65-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

58976-65-1 / 2-[bis(carboxymethyl)amino]pentanedioic acid

Standard CAS: 58976-65-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
58976-65-1
Multi CAS
Yes
Molecular Formula
C9H13NO8
Molecular Weight
263.200000
Exact Mass
263.064116
InChI
InChI=1S/C9H13NO8/c11-6(12)2-1-5(9(17)18)10(3-7(13)14)4-8(15)16/h5H,1-4H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18)/t5-/m0/s1
InChIKey
VCVKIIDXVWEWSZ-YFKPBYRVSA-N

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.56
Rotatable bonds
9
H-bond acceptors
5
H-bond donors
4
Molar refractivity
55.14
TPSA
152.44

LogP / Solubility

WLOGP
-1.22
MLOGP
-1.07
XLogP3
-3.3
Consensus LogP
-1.86
Log S (ESOL)
-0.11
Class (ESOL)
Very soluble
Log S (Ali)
-0.83
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.43
Class (SILICOS-IT)
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)
-5.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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