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CAS 104578-89-4 2-Deoxy-L-ribose-anilide molecular structure lightbox
CAS RN: 104578-89-4

2-Deoxy-L-ribose-anilide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250110 10g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS104578-89-4
  • Purity/Analytical Methods: >99.0%
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104578-89-4 / (2S,3R)-5-anilino-2-(hydroxymethyl)oxolan-3-ol

(2R,3S,5R)-5-anilino-2-(hydroxymethyl)oxolan-3-ol | DTXSID90360569 | OYCBOKNPGJKONC-HBNTYKKESA-N

Standard CAS: 104578-89-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
104578-89-4
Multi CAS
Yes
Molecular Formula
C11H15NO3
Molecular Weight
209.240000
Exact Mass
209.105193
SMILES
C1[C@H]([C@@H](OC1NC2=CC=CC=C2)CO)O
InChI
InChI=1S/C11H15NO3/c13-7-10-9(14)6-11(15-10)12-8-4-2-1-3-5-8/h1-5,9-14H,6-7H2/t9-,10+,11?/m1/s1
InChIKey
OYCBOKNPGJKONC-JKIOLJMWSA-N
Synonyms
(2R,3S,5R)-5-anilino-2-(hydroxymethyl)oxolan-3-ol DTXSID90360569 OYCBOKNPGJKONC-HBNTYKKESA-N MFCD18643013 2-Deoxy-N-phenyl-beta-D-erythro-pentofuranosylamine

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
56.44
TPSA
61.72

LogP / Solubility

WLOGP
0.57
MLOGP
0.5
XLogP3
1.4
Consensus LogP
0.82
Log S (ESOL)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.85
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.59

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 2 of 2 companies. For more detailed information, please visit ECHA C&L website.

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