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CAS 19939-82-3 1-NAPHTHYL-BETA-D-GLUCOPYRANOSIDE molecular structure lightbox
CAS RN: 19939-82-3

1-NAPHTHYL-BETA-D-GLUCOPYRANOSIDE

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250926 1g In stock Shanghai, Tianjin Inquiry
Batchno.20251206 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20260620 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS19939-82-3
  • Purity/Analytical Methods: >99.0%
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19939-82-3 / (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-naphthalen-1-yloxyoxane-3,4,5-triol

Standard CAS: 19939-82-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19939-82-3
Multi CAS
No
Molecular Formula
C16H18O6
Molecular Weight
306.310000
Exact Mass
306.110338
SMILES
C1=CC=C2C(=C1)C=CC=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI
InChI=1S/C16H18O6/c17-8-12-13(18)14(19)15(20)16(22-12)21-11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12-20H,8H2/t12-,13-,14+,15-,16-/m1/s1
InChIKey
CVAOQMBKGUKOIZ-IBEHDNSVSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
10
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
4
Molar refractivity
78.34
TPSA
99.38

LogP / Solubility

WLOGP
0.02
MLOGP
0.03
XLogP3
0.8
Consensus LogP
0.28
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-2.09
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.03
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
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)
-4.58

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
5

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