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CAS 102916-66-5 2-DEOXYRIBOSE 5-PHOSPHATE SODIUM SALT molecular structure lightbox
CAS RN: 102916-66-5

2-DEOXYRIBOSE 5-PHOSPHATE SODIUM SALT

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250225 25mg Out of stock 5-7 business days Inquiry
Batchno.20250218 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS102916-66-5
  • Purity/Analytical Methods: >99.0%
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102916-66-5 / sodium [(2R,3S)-2,3-dihydroxy-5-oxopentyl] hydrogen phosphate

Diethyl (Boc-amino)malonate | Diethyl 2-((tert-butoxycarbonyl)amino)malonate | 7V4Q8E9WWJ

Standard CAS: 102916-66-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
102916-66-5
Multi CAS
Yes
Molecular Formula
C5H10NaO7P
Molecular Weight
236.090000
Exact Mass
236.006184
SMILES
C(C=O)[C@@H]([C@@H](COP(=O)(O)[O-])O)O.[Na+]
InChI
InChI=1S/C5H11O7P.Na/c6-2-1-4(7)5(8)3-12-13(9,10)11;/h2,4-5,7-8H,1,3H2,(H2,9,10,11);/t4-,5+;/m0./s1
InChIKey
ZRNGXBHWCWMPOF-UYXJWNHNSA-N
Synonyms
Diethyl (Boc-amino)malonate Diethyl 2-((tert-butoxycarbonyl)amino)malonate 7V4Q8E9WWJ UNII-7V4Q8E9WWJ NSC 669676

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.8
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
3
Molar refractivity
38.47
TPSA
127.12

LogP / Solubility

WLOGP
-5.22
MLOGP
-4.59
XLogP3
-5.22
Consensus LogP
-5.01
Log S (ESOL)
2.38
Class (ESOL)
Highly soluble
Log S (Ali)
2.27
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.42
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)
-7.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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