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CAS 6554-10-5 5′-O-TRITYLURIDINE molecular structure lightbox
CAS RN: 6554-10-5

5′-O-TRITYLURIDINE

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Batchno.20250903 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS6554-10-5
  • Purity/Analytical Methods: >99.0%
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6554-10-5 / 1-[3,4-dihydroxy-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

Standard CAS: 6554-10-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6554-10-5
Multi CAS
Yes
Molecular Formula
C28H26N2O6
Molecular Weight
486.500000
Exact Mass
486.179087
InChI
InChI=1S/C28H26N2O6/c31-23-16-17-30(27(34)29-23)26-25(33)24(32)22(36-26)18-35-28(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-17,22,24-26,32-33H,18H2,(H,29,31,34)/t22-,24-,25-,26-/m1/s1
InChIKey
YQHCGMPQZCIQPS-VNSJUHMKSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
24
Fraction Csp3
0.21
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
3
Molar refractivity
132.41
TPSA
113.78

LogP / Solubility

WLOGP
2.16
MLOGP
1.94
XLogP3
2.7
Consensus LogP
2.27
Log S (ESOL)
-4.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.46
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7

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