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CAS 207121-55-9 2′-DEOXYGUANOSINE HYDRATE molecular structure lightbox
CAS RN: 207121-55-9

2′-DEOXYGUANOSINE HYDRATE

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251007 100mg In stock Inquiry
Batchno.20251018 25g In stock Inquiry
Batchno.20260502 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251125 500mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS207121-55-9
  • Purity/Analytical Methods: >99.0%
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207121-55-9 / 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one;hydrate

Standard CAS: 207121-55-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
207121-55-9
Multi CAS
No
Molecular Formula
C10H15N5O5
Molecular Weight
285.260000
Exact Mass
285.107319
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)CO)O.O
InChI
InChI=1S/C10H13N5O4.H2O/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6;/h3-6,16-17H,1-2H2,(H3,11,13,14,18);1H2/t4-,5+,6+;/m0./s1
InChIKey
LZSCQUCOIRGCEJ-FPKZOZHISA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
8
H-bond donors
4
Molar refractivity
67.79
TPSA
170.78

LogP / Solubility

WLOGP
-2.48
MLOGP
-2.17
XLogP3
-2.48
Consensus LogP
-2.38
Log S (ESOL)
-0.25
Class (ESOL)
Very soluble
Log S (Ali)
-0.11
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.31
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)
-6.22

Drug-likeness / Medicinal Chemistry

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

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