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CAS 537039-67-1 Uridine 5′-(trihydrogen diphosphate) P’-(6-azido-6-deoxy-alpha-D-glucopyranosyl) ester molecular structure lightbox
CAS RN: 537039-67-1

Uridine 5′-(trihydrogen diphosphate) P’-(6-azido-6-deoxy-alpha-D-glucopyranosyl) ester

  • Product code: SSC-161105
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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: 0.01g, 0.025g
  • Available purity: >90%
  • 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 537039-67-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.01g >90% 0 Out of Stock Shanghai Inquiry
0.025g >90% 0 Out of Stock Shenzhen Inquiry

537039-67-1 / [(2R,3R,4S,5S,6R)-6-(azidomethyl)-3,4,5-trihydroxyoxan-2-yl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate

Standard CAS: 537039-67-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
537039-67-1
Multi CAS
Yes
Molecular Formula
C15H23N5O16P2
Molecular Weight
591.310000
Exact Mass
591.061504
InChI
InChI=1S/C15H23N5O16P2/c16-19-17-3-5-8(22)10(24)12(26)14(34-5)35-38(30,31)36-37(28,29)32-4-6-9(23)11(25)13(33-6)20-2-1-7(21)18-15(20)27/h1-2,5-6,8-14,22-26H,3-4H2,(H,28,29)(H,30,31)(H,18,21,27)/t5?,6-,8?,9-,10?,11-,12?,13-,14?/m1/s1
InChIKey
YLSUUMDTTUVTGP-MJIHKOFYSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
6
Fraction Csp3
0.73
Rotatable bonds
10
H-bond acceptors
16
H-bond donors
8
Molar refractivity
115.71
TPSA
325.52

LogP / Solubility

WLOGP
-3.48
MLOGP
-3.01
XLogP3
-5.6
Consensus LogP
-4.03
Log S (ESOL)
-0.77
Class (ESOL)
Very soluble
Log S (Ali)
-1.9
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.82
Class (SILICOS-IT)
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)
-8.79

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
9.5

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