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CAS 102783-74-4 2′-Deoxyguanosine-5′-diphosphate trisodium salt molecular structure lightbox
CAS RN: 102783-74-4

2′-Deoxyguanosine-5′-diphosphate trisodium salt

  • Product code: SSC-004134
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 102783-74-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥97% 0 Out of Stock Hong Kong Inquiry

102783-74-4 / trisodium;[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphate

2'-Deoxyguanosine-5'-diphosphate trisodium salt | dGDP | Guanosine5'-(trihydrogen diphosphate), 2'-deoxy-, trisodium salt (9CI)

Standard CAS: 102783-74-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
102783-74-4
Multi CAS
Yes
Molecular Formula
C10H12N5Na3O10P2
Molecular Weight
493.150000
Exact Mass
492.975248
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)COP(=O)([O-])OP(=O)([O-])[O-])O.[Na+].[Na+].[Na+]
InChI
InChI=1S/C10H15N5O10P2/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(24-6)2-23-27(21,22)25-26(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H2,18,19,20)(H3,11,13,14,17)/p-3/t4-,5+,6+/m0/s1
InChIKey
CIKGWCTVFSRMJU-KVQBGUIXSA-K
Synonyms
2'-Deoxyguanosine-5'-diphosphate trisodium salt dGDP Guanosine5'-(trihydrogen diphosphate), 2'-deoxy-, trisodium salt (9CI) sodium ((2R,3S,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl)methyl diphosphate 2'-Deoxyguanosine-5'-diphosphatetrisodiumsalt

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
6
H-bond acceptors
14
H-bond donors
3
Molar refractivity
79.34
TPSA
240.83

LogP / Solubility

WLOGP
-12.31
MLOGP
-10.8
XLogP3
-12.31
Consensus LogP
-11.81
Log S (ESOL)
5.03
Class (ESOL)
Highly soluble
Log S (Ali)
5.28
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
6.63
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)
-14.47

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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