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CAS 15596-14-2 b-D-Ribofuranuronic acid,1-(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)-1-deoxy- molecular structure lightbox
CAS RN: 15596-14-2

b-D-Ribofuranuronic acid,1-(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)-1-deoxy-

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260508 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS15596-14-2
  • Purity/Analytical Methods: >99.0%
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15596-14-2 / (2S,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolane-2-carboxylic acid

Standard CAS: 15596-14-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
15596-14-2
Multi CAS
No
Molecular Formula
C10H11N5O6
Molecular Weight
297.220000
Exact Mass
297.070933
SMILES
C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)O)O)O)N=C(NC2=O)N
InChI
InChI=1S/C10H11N5O6/c11-10-13-6-2(7(18)14-10)12-1-15(6)8-4(17)3(16)5(21-8)9(19)20/h1,3-5,8,16-17H,(H,19,20)(H3,11,13,14,18)/t3-,4+,5-,8+/m0/s1
InChIKey
ASAADZNSXOCOCZ-MXSWDONDSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
9
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
9
H-bond donors
5
Molar refractivity
66.12
TPSA
176.58

LogP / Solubility

WLOGP
-2.59
MLOGP
-2.27
XLogP3
-1.6
Consensus LogP
-2.15
Log S (ESOL)
-0.23
Class (ESOL)
Very soluble
Log S (Ali)
-0.12
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.32
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)
-6.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4.5

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