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Chemistry

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Also known as: 749168-24-9, (2r,4s,5s,6s)-4-amino-6-methyltetrahydro-2h-pyran-2,5-diol, Schembl10802661, Zinc6920574, Akos006337512, Wurcs=2.0/1,1,0/[ad221m-1a_1-5_3*n]/1/
Molecular Formula
C6H13NO3
Molecular Weight
147.17  g/mol
InChI Key
BBMKQGIZNKEDOX-UNTFVMJOSA-N

CAS 749168-24-9
1 2D Structure

CAS 749168-24-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2R,4S,5S,6S)-4-amino-6-methyloxane-2,5-diol
2.1.2 InChI
InChI=1S/C6H13NO3/c1-3-6(9)4(7)2-5(8)10-3/h3-6,8-9H,2,7H2,1H3/t3-,4-,5+,6+/m0/s1
2.1.3 InChI Key
BBMKQGIZNKEDOX-UNTFVMJOSA-N
2.1.4 Canonical SMILES
CC1C(C(CC(O1)O)N)O
2.1.5 Isomeric SMILES
C[C@H]1[C@H]([C@H](C[C@@H](O1)O)N)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 749168-24-9

2. (2r,4s,5s,6s)-4-amino-6-methyltetrahydro-2h-pyran-2,5-diol

3. Schembl10802661

4. Zinc6920574

5. Akos006337512

6. Wurcs=2.0/1,1,0/[ad221m-1a_1-5_3*n]/1/

2.3 Create Date
2007-02-08
3 Chemical and Physical Properties
Molecular Weight 147.17 g/mol
Molecular Formula C6H13NO3
XLogP3-1.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass147.08954328 g/mol
Monoisotopic Mass147.08954328 g/mol
Topological Polar Surface Area75.7 Ų
Heavy Atom Count10
Formal Charge0
Complexity120
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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