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CAS 118358-80-8 Tetra-O-acetyl-a-Mannosyl-Fmocserine molecular structure lightbox
CAS RN: 118358-80-8

Tetra-O-acetyl-a-Mannosyl-Fmocserine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250624 25mg / 100mg Out of stock 15 business days Inquiry
  • Product code: SSC-018131
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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: 1g
  • 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 118358-80-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry

118358-80-8 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxypropanoic acid

Tetra-O-acetyl-a-Mannosyl-Fmocserine | MFCD05663656 | N-(((9H-Fluoren-9-yl)methoxy)carbonyl)-O-((2S,3S,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydro-2H-pyran-2-yl)-L-serine

Standard CAS: 118358-80-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
118358-80-8
Multi CAS
Yes
Molecular Formula
C32H35NO14
Molecular Weight
657.600000
Exact Mass
657.205755
SMILES
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)OC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C32H35NO14/c1-16(34)41-15-26-27(44-17(2)35)28(45-18(3)36)29(46-19(4)37)31(47-26)42-14-25(30(38)39)33-32(40)43-13-24-22-11-7-5-9-20(22)21-10-6-8-12-23(21)24/h5-12,24-29,31H,13-15H2,1-4H3,(H,33,40)(H,38,39)/t25-,26+,27+,28-,29-,31-/m0/s1
InChIKey
UGQPZVSWEMKXBN-YVMRMMKNSA-N
Synonyms
Tetra-O-acetyl-a-Mannosyl-Fmocserine MFCD05663656 N-(((9H-Fluoren-9-yl)methoxy)carbonyl)-O-((2S,3S,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydro-2H-pyran-2-yl)-L-serine Fmoc-l-ser(alpha-d-manac4)-oh (2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-3-[(2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxypropanoic acid

Computed Properties

Structural Parameters

Heavy atom count
47
Aromatic heavy atom count
12
Fraction Csp3
0.44
Rotatable bonds
12
H-bond acceptors
13
H-bond donors
2
Molar refractivity
157.54
TPSA
199.29

LogP / Solubility

WLOGP
2.08
MLOGP
1.88
XLogP3
2.2
Consensus LogP
2.05
Log S (ESOL)
-4.62
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.45
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.1
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.26

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
7.5

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