[email protected]
CAS 188717-04-6 D-Glucuronic acid 2-propen-1-yl ester molecular structure lightbox
CAS RN: 188717-04-6

D-Glucuronic acid 2-propen-1-yl ester

  • Product code: SSC-087852
GET A QUOTE
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: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 188717-04-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

188717-04-6 / prop-2-enyl (2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoate

Standard CAS: 188717-04-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
188717-04-6
Multi CAS
No
Molecular Formula
C9H14O7
Molecular Weight
234.200000
Exact Mass
234.073953
SMILES
C=CCOC(=O)[C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O
InChI
InChI=1S/C9H14O7/c1-2-3-16-9(15)8(14)7(13)6(12)5(11)4-10/h2,4-8,11-14H,1,3H2/t5-,6+,7-,8-/m0/s1
InChIKey
YQUWEXFYFCGYRA-YWIQKCBGSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.56
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
4
Molar refractivity
51.25
TPSA
124.29

LogP / Solubility

WLOGP
-2.64
MLOGP
-2.32
XLogP3
-1.6
Consensus LogP
-2.19
Log S (ESOL)
0.83
Class (ESOL)
Highly soluble
Log S (Ali)
0.43
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.17
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-6.02

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

Customers Also Viewed

Get In Touch

Contact Us