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CAS 106449-56-3 2′-DEOXYISOGUANOSINE molecular structure lightbox
CAS RN: 106449-56-3

2′-DEOXYISOGUANOSINE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250818 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS106449-56-3
  • Purity/Analytical Methods: >99.0%
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106449-56-3 / 6-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-2-one

2'-Deoxyisoguanosine | RefChem:908423 | 2-Hydroxydeoxyadenosine

Standard CAS: 106449-56-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
106449-56-3
Multi CAS
Yes
Molecular Formula
C10H13N5O4
Molecular Weight
267.240000
Exact Mass
267.096754
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(NC(=O)N=C32)N)CO)O
InChI
InChI=1S/C10H13N5O4/c11-8-7-9(14-10(18)13-8)15(3-12-7)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,6+/m0/s1
InChIKey
SWFIFWZFCNRPBN-KVQBGUIXSA-N
Synonyms
2'-Deoxyisoguanosine RefChem:908423 2-Hydroxydeoxyadenosine 2/'-Deoxyisoguanosine adenosine, 2'-deoxy-1,2-dihydro-2-oxo-

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
8
H-bond donors
4
Molar refractivity
64.18
TPSA
139.28

LogP / Solubility

WLOGP
-1.66
MLOGP
-1.45
XLogP3
-2
Consensus LogP
-1.7
Log S (ESOL)
-0.67
Class (ESOL)
Very soluble
Log S (Ali)
-0.55
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.26
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)
-5.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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