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CAS 164204-38-0 N-[N-[[(6-deoxy-α-L-mannopyranosyl)oxy]hydroxyphosphinyl]-L-leucyl]- L-tryptophan,sodium salt (1:1) molecular structure lightbox
CAS RN: 164204-38-0

N-[N-[[(6-deoxy-α-L-mannopyranosyl)oxy]hydroxyphosphinyl]-L-leucyl]- L-tryptophan,sodium salt (1:1)

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7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250711 100mg In stock Shanghai Inquiry
Batchno.20251028 10mg In stock Shanghai Inquiry
Batchno.20250416 1mg In stock Shanghai Inquiry
Batchno.20250926 25mg In stock Shanghai Inquiry
Batchno.20251109 50mg In stock Shanghai Inquiry
Batchno.20250205 5mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250222 1mg / 5mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS164204-38-0
  • Purity/Analytical Methods: >99.0%
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164204-38-0 / disodium;(2S)-3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-[[oxido-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphosphoryl]amino]pentanoyl]amino]propanoate

Standard CAS: 164204-38-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
164204-38-0
Multi CAS
No
Molecular Formula
C23H32N3Na2O10P
Molecular Weight
587.500000
Exact Mass
587.162070
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OP(=O)(N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)[O-])[O-])O)O)O.[Na+].[Na+]
InChI
InChI=1S/C23H34N3O10P.2Na/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15;;/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34);;/q;2*+1/p-2/t12-,16-,17-,18-,19+,20+,23-;;/m0../s1
InChIKey
OQKHVXFOYFBMDJ-ODIUWQMJSA-L

Computed Properties

Structural Parameters

Heavy atom count
39
Aromatic heavy atom count
9
Fraction Csp3
0.57
Rotatable bonds
11
H-bond acceptors
10
H-bond donors
6
Molar refractivity
126.37
TPSA
216.33

LogP / Solubility

WLOGP
-7.73
MLOGP
-6.76
XLogP3
-7.73
Consensus LogP
-7.41
Log S (ESOL)
1.94
Class (ESOL)
Highly soluble
Log S (Ali)
1.2
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.62
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)
-11.79

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
8

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

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