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CAS 203120-17-6 (4S,5R,6R)-5-Acetamido-4-guanidino-6-((1R,2R)-2,3-dihydroxy-1-methoxypropyl)-5,6-dihydro-4H-pyran-2-carboxylic acid molecular structure lightbox
CAS RN: 203120-17-6

(4S,5R,6R)-5-Acetamido-4-guanidino-6-((1R,2R)-2,3-dihydroxy-1-methoxypropyl)-5,6-dihydro-4H-pyran-2-carboxylic acid

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6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250529 100mg In stock Shanghai Inquiry
Batchno.20251126 1g In stock Shanghai Inquiry
Batchno.20260623 250mg In stock Shanghai Inquiry
Batchno.20250622 25mg In stock Shanghai Inquiry
Batchno.20251105 50mg In stock Shanghai Inquiry
Batchno.20260606 50mg / 200mg Out of stock 30 business days Inquiry
  • Product code: LINS824019
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203120-17-6 / (2R,3R,4S)-3-acetamido-4-(diaminomethylideneamino)-2-[(1R,2R)-2,3-dihydroxy-1-methoxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid

Standard CAS: 203120-17-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
203120-17-6
Multi CAS
No
Molecular Formula
C13H22N4O7
Molecular Weight
346.340000
Exact Mass
346.148849
SMILES
CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)OC)C(=O)O)N=C(N)N
InChI
InChI=1S/C13H22N4O7/c1-5(19)16-9-6(17-13(14)15)3-8(12(21)22)24-11(9)10(23-2)7(20)4-18/h3,6-7,9-11,18,20H,4H2,1-2H3,(H,16,19)(H,21,22)(H4,14,15,17)/t6-,7+,9+,10+,11+/m0/s1
InChIKey
QNRRHYPPQFELSF-CNYIRLTGSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.62
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
6
Molar refractivity
81.68
TPSA
189.72

LogP / Solubility

WLOGP
-3.13
MLOGP
-2.74
XLogP3
-3.2
Consensus LogP
-3.02
Log S (ESOL)
0.45
Class (ESOL)
Highly soluble
Log S (Ali)
-0.14
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.15
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)
-7.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
5

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