(3S,4S,6S)-2-amino-6-(hydroxymethyl)oxane-3,4-diol

C6H13NO4 — CID 89318035

IUPAC(3S,4S,6S)-2-amino-6-(hydroxymethyl)oxane-3,4-diol
SMILESNC1O[C@H](CO)C[C@H](O)[C@@H]1O
InChIInChI=1S/C6H13NO4/c7-6-5(10)4(9)1-3(2-8)11-6/h3-6,8-10H,1-2,7H2/t3-,4-,5-,6?/m0/s1
InChIKeyCIBPWRBAODUETG-NNXAEHONSA-N
MW163.17 g/mol
LogP-2.23
Rot. Bonds1

About (3S,4S,6S)-2-amino-6-(hydroxymethyl)oxane-3,4-diol

(3S,4S,6S)-2-amino-6-(hydroxymethyl)oxane-3,4-diol (PubChem CID 89318035) has the molecular formula C6H13NO4 and a molecular weight of 163.17 g/mol. Its IUPAC name is (3S,4S,6S)-2-amino-6-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name(3S,4S,6S)-2-amino-6-(hydroxymethyl)oxane-3,4-diol
PubChem CID89318035
Molecular FormulaC6H13NO4
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name(3S,4S,6S)-2-amino-6-(hydroxymethyl)oxane-3,4-diol
SMILESNC1O[C@H](CO)C[C@H](O)[C@@H]1O
InChIInChI=1S/C6H13NO4/c7-6-5(10)4(9)1-3(2-8)11-6/h3-6,8-10H,1-2,7H2/t3-,4-,5-,6?/m0/s1
InChIKeyCIBPWRBAODUETG-NNXAEHONSA-N
XLogP-2.23
TPSA95.94 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 5-2.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;6-(hydroxymethyl)-2-methyloxane-3,4-diol
CID 143276488
(4S)-7-(hydroxymethyl)oxepane-2,4,5-triol
CID 163289126
6-(hydroxymethyl)-2-methylsulfanyloxane-3,4-diol
CID 123678113
2-ethynyl-6-(hydroxymethyl)oxane-3,4-diol
CID 144652826
(2S,3S,4S,6R)-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
CID 93090180
(1R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxycyclohexane-1,3-diol
CID 143974221
CID 89009829
CID 89009829
3-hydroxy-5-(hydroxymethyl)oxolane-2-carboxylic acid
CID 14331766
(2S,3R,5S)-2-ethenyl-5-(hydroxymethyl)oxolan-3-ol
CID 130917823
(2R,3R,4S)-2-[(2R,4S)-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol
CID 167113171
N'-[3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]ethanimidamide
CID 123994140
2-[4-[4-[3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 123511066

Frequently Asked Questions

What is the IUPAC name of (3S,4S,6S)-2-amino-6-(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of (3S,4S,6S)-2-amino-6-(hydroxymethyl)oxane-3,4-diol (CID 89318035) is (3S,4S,6S)-2-amino-6-(hydroxymethyl)oxane-3,4-diol.
What is the SMILES notation for (3S,4S,6S)-2-amino-6-(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for (3S,4S,6S)-2-amino-6-(hydroxymethyl)oxane-3,4-diol is NC1O[C@H](CO)C[C@H](O)[C@@H]1O.
What is the InChIKey of (3S,4S,6S)-2-amino-6-(hydroxymethyl)oxane-3,4-diol?
The InChIKey is CIBPWRBAODUETG-NNXAEHONSA-N. The full InChI is InChI=1S/C6H13NO4/c7-6-5(10)4(9)1-3(2-8)11-6/h3-6,8-10H,1-2,7H2/t3-,4-,5-,6?/m0/s1.
What are the key properties of (3S,4S,6S)-2-amino-6-(hydroxymethyl)oxane-3,4-diol?
(3S,4S,6S)-2-amino-6-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 163.17 g/mol, XLogP of -2.23, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,6S)-2-amino-6-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 89318035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).