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tert-butyl N-[(3R,6R)-6-(hydroxymethyl)oxan-3-yl]carbamate - 97%, high purity , CAS No.1931996-65-4

COA

Grade & Purity:

≥97%

Cas Number: 1931996-65-4
Molecular Weight: 231.29
PubChem CID: 91885058

In stock

Item Number

T631053

Grouped product items
SKU	Size	Availability	Price
T631053-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,396.90
T631053-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,234.90
T631053-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,724.90

Basic Description

Synonyms	tert-Butyl (cis-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)carbamate \| 1923238-60-1 \| 1931996-65-4 \| tert-butyl N-[(3R,6R)-6-(hydroxymethyl)oxan-3-yl]carbamate \| tert-Butyl N-[(3R,6R)-6-(hydroxymethyl)-tetrahydropyran-3-yl]carbamate \| D-threo-Hexitol, 1,5-
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Oxanes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Oxanes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Oxanes
Alternative Parents	Carbamate esters Oxacyclic compounds Dialkyl ethers Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Oxane - Carbamic acid ester - Oxacycle - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Carbonyl group - Alcohol - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as oxanes. These are compounds containing an oxane (tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	tert-butyl N-[(3R,6R)-6-(hydroxymethyl)oxan-3-yl]carbamate
INCHI	InChI=1S/C11H21NO4/c1-11(2,3)16-10(14)12-8-4-5-9(6-13)15-7-8/h8-9,13H,4-7H2,1-3H3,(H,12,14)/t8-,9-/m1/s1
InChIKey	LKBZAGUOZDYGKG-RKDXNWHRSA-N
Smiles	CC(C)(C)OC(=O)NC1CCC(OC1)CO
PubChem CID	91885058
Molecular Weight	231.29

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	231.290 g/mol
XLogP3	0.700
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	231.147 Da
Monoisotopic Mass	231.147 Da
Topological Polar Surface Area	67.800 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	237.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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