(5S,6S)-4-amino-6-methyloxane-2,5-diol

C6H13NO3 — CID 55284628

IUPAC(5S,6S)-4-amino-6-methyloxane-2,5-diol
SMILESC[C@@H]1OC(O)CC(N)[C@@H]1O
InChIInChI=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
InChIKeyBBMKQGIZNKEDOX-JKRBRZMLSA-N
MW147.17 g/mol
LogP-1.20
Rot. Bonds

About (5S,6S)-4-amino-6-methyloxane-2,5-diol

(5S,6S)-4-amino-6-methyloxane-2,5-diol (PubChem CID 55284628) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is (5S,6S)-4-amino-6-methyloxane-2,5-diol.

Molecular Properties

Compound Name(5S,6S)-4-amino-6-methyloxane-2,5-diol
PubChem CID55284628
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name(5S,6S)-4-amino-6-methyloxane-2,5-diol
SMILESC[C@@H]1OC(O)CC(N)[C@@H]1O
InChIInChI=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
InChIKeyBBMKQGIZNKEDOX-JKRBRZMLSA-N
XLogP-1.20
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,5S)-4-amino-6-methyloxane-2,5-diol;hydrochloride
CID 91980014
(4R,5R,6S)-4-amino-6-methyloxane-2,5-diol;propan-2-one
CID 141350256
(2S,4S,5S,6R)-6-methyloxane-2,4,5-triol
CID 6543736
(3S,4R,6R)-4-amino-2-methyl-6-propan-2-yloxan-3-ol
CID 89411156
(2S,3R,4S,6R)-4-amino-2-methyl-6-propan-2-yloxan-3-ol
CID 134195892
(2S,3R,4S)-4-amino-6-methoxy-2-methyloxan-3-ol
CID 70527934
(2S,3S,4S,6R)-4-amino-6-butan-2-yl-2-methyloxan-3-ol
CID 139322242
(2S,4S,5R,6R)-4-(dimethylamino)-6-methyloxane-2,5-diol
CID 57130951
(2S,4R,5R,6S)-4-(dimethylamino)-6-methyloxane-2,5-diol
CID 90658743
(2R,5S)-4-amino-2,6-dimethyloxane-3,5-diol
CID 89232142
(4R,5R,6S)-4-azido-6-methyloxane-2,5-diol
CID 16679756
N-[(2S,3S,4S)-3,6-dihydroxy-2-methyloxan-4-yl]acetamide
CID 13387486

Frequently Asked Questions

What is the IUPAC name of (5S,6S)-4-amino-6-methyloxane-2,5-diol?
The IUPAC name of (5S,6S)-4-amino-6-methyloxane-2,5-diol (CID 55284628) is (5S,6S)-4-amino-6-methyloxane-2,5-diol.
What is the SMILES notation for (5S,6S)-4-amino-6-methyloxane-2,5-diol?
The canonical SMILES for (5S,6S)-4-amino-6-methyloxane-2,5-diol is C[C@@H]1OC(O)CC(N)[C@@H]1O.
What is the InChIKey of (5S,6S)-4-amino-6-methyloxane-2,5-diol?
The InChIKey is BBMKQGIZNKEDOX-JKRBRZMLSA-N. The full InChI is 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.
What are the key properties of (5S,6S)-4-amino-6-methyloxane-2,5-diol?
(5S,6S)-4-amino-6-methyloxane-2,5-diol has a molecular weight of 147.17 g/mol, XLogP of -1.20, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-4-amino-6-methyloxane-2,5-diol is sourced from PubChem (CID 55284628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).