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CAS 63279-13-0 rebaudioside D, Analytical reference molecular structure lightbox
CAS RN: 63279-13-0

rebaudioside D, Analytical reference

Product Availability

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7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251122 5mg / 25mg / 100mg Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250511 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20260522 10mg In stock Shanghai Inquiry
Batchno.20250731 1g In stock Shanghai Inquiry
Batchno.20251210 250mg In stock Shanghai Inquiry
Batchno.20260509 50mg In stock Shanghai Inquiry
Batchno.20250109 5mg In stock Shanghai Inquiry
  • Product code: SSC-172888
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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: 0.25g
  • Available purity: ≥95%
  • 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 63279-13-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

63279-13-0 / [(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] (1R,4S,5R,9S,10R,13S)-13-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate

Standard CAS: 63279-13-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
63279-13-0
Multi CAS
Yes
Molecular Formula
C50H80O28
Molecular Weight
1129.200000
Exact Mass
1128.483612
InChI
InChI=1S/C50H80O28/c1-18-11-49-9-5-24-47(2,7-4-8-48(24,3)46(68)77-44-39(34(64)29(59)22(15-54)72-44)75-42-36(66)32(62)27(57)20(13-52)70-42)25(49)6-10-50(18,17-49)78-45-40(76-43-37(67)33(63)28(58)21(14-53)71-43)38(30(60)23(16-55)73-45)74-41-35(65)31(61)26(56)19(12-51)69-41/h19-45,51-67H,1,4-17H2,2-3H3/t19-,20-,21-,22-,23-,24+,25+,26-,27-,28-,29-,30-,31+,32+,33+,34+,35-,36-,37-,38+,39-,40-,41+,42+,43+,44+,45+,47-,48-,49-,50+/m1/s1
InChIKey
RPYRMTHVSUWHSV-CUZJHZIBSA-N

Computed Properties

Structural Parameters

Heavy atom count
78
Fraction Csp3
0.94
Rotatable bonds
15
H-bond acceptors
28
H-bond donors
17
Molar refractivity
251.66
TPSA
453.28

LogP / Solubility

WLOGP
-7.29
MLOGP
-6.3
XLogP3
-4.4
Consensus LogP
-6
Log S (ESOL)
-1.26
Class (ESOL)
Soluble
Log S (Ali)
-3.56
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.75
Class (SILICOS-IT)
Moderately 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)
-14.78

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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