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

C6H13NO3 — CID 12816798

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

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

(4S,5S,6S)-4-amino-6-methyloxane-2,5-diol (PubChem CID 12816798) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is (4S,5S,6S)-4-amino-6-methyloxane-2,5-diol.

Molecular Properties

Compound Name(4S,5S,6S)-4-amino-6-methyloxane-2,5-diol
PubChem CID12816798
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name(4S,5S,6S)-4-amino-6-methyloxane-2,5-diol
SMILESC[C@@H]1OC(O)C[C@H](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-HPASCFBVSA-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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Frequently Asked Questions

What is the IUPAC name of (4S,5S,6S)-4-amino-6-methyloxane-2,5-diol?
The IUPAC name of (4S,5S,6S)-4-amino-6-methyloxane-2,5-diol (CID 12816798) is (4S,5S,6S)-4-amino-6-methyloxane-2,5-diol.
What is the SMILES notation for (4S,5S,6S)-4-amino-6-methyloxane-2,5-diol?
The canonical SMILES for (4S,5S,6S)-4-amino-6-methyloxane-2,5-diol is C[C@@H]1OC(O)C[C@H](N)[C@@H]1O.
What is the InChIKey of (4S,5S,6S)-4-amino-6-methyloxane-2,5-diol?
The InChIKey is BBMKQGIZNKEDOX-HPASCFBVSA-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 (4S,5S,6S)-4-amino-6-methyloxane-2,5-diol?
(4S,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 (4S,5S,6S)-4-amino-6-methyloxane-2,5-diol is sourced from PubChem (CID 12816798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).